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Chemical ID: 5154153

C[N+]1(CCCCCC1)CCNC(=O)CCCCCCC(=O)NCC[N+]2(CCCCCC2)C

Chemical ID:

5154153

Name [?]:

N,N'-bis[2-(1-methyl-1-azoniacyclohept-1-yl)ethyl]octanediamide

SMILES [?]:

C[N+]1(CCCCCC1)CCNC(=O)CCCCCCC(=O)NCC[N+]2(CCCCCC2)C

InChi [?]:

InChI=1/C26H50N4O2/c1-29(19-11-5-6-12-20-29)23-17-27-25(31)15-9-3-4-10-16-26(32)28-18-24-30(2)21-13-7-8-14-22-30/h3-24H2,1-2H3/p+2

InChi Info:

AuxInfo=1/5/N:1,32,16,17,5,6,28,29,15,18,4,7,27,30,14,19,10,23,3,8,26,31,9,24,12,20,11,22,2,25,13,21/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/CRV:29+1,30+1,31-1,32-1/rA:32nCN+CCCCCCCCNCOCCCCCCCONCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s2;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s26;s27;s28;s29;s25s30;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₅₂N₄O₂₊₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	-46.5824
Area:	766.178
Solvation:	-65.7368
Coulombic:	16.862

Bond Count [?]

All:	33
Single:	31
Double:	2
Rotors:	15
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	452.717
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.33
LogP (Chemaxon):	-6.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value