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Chemical ID: 7174342

Chemical ID:

7174342

Name [?]:

benzyl-(1-cyclohexyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-methyl-ammonium

SMILES [?]:

C[NH+](Cc1ccccc1)C2CC[NH+](CC2)C3CCCCC3

InChi [?]:

InChI=1/C19H30N2/c1-20(16-17-8-4-2-5-9-17)18-12-14-21(15-13-18)19-10-6-3-7-11-19/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3/p+2

InChi Info:

AuxInfo=1/1/N:1,7,19,6,8,18,20,5,9,17,21,11,15,12,14,3,4,10,16,2,13/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:21cCN+CCCCCCCCCCN+CCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₂N₂₊₂
All Atoms:	53
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	-80.6081
Area:	497.992
Solvation:	-93.0579
Coulombic:	93.7481

Bond Count [?]

All:	23
Single:	20
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	288.471
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.0
LogP (Chemaxon):	3.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value