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Chemical ID: 7121843

Chemical ID:

7121843

Name [?]:

2-[[4-(2,3,4,5-tetrahydropyrrol-1-yl)-3,4,5,6-tetrahydro-2H-pyridin-1-yl]methyl]pyridine

SMILES [?]:

c1ccnc(c1)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChi [?]:

InChI=1/C15H23N3/c1-2-8-16-14(5-1)13-17-11-6-15(7-12-17)18-9-3-4-10-18/h1-2,5,8,15H,3-4,6-7,9-13H2/p+2

InChi Info:

AuxInfo=1/1/N:1,2,16,17,6,10,12,3,15,18,9,13,7,5,11,4,8,14/E:(3,4)(6,7)(9,10)(11,12)/rA:18nCCCNCCCN+CCCCCN+CCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅N₃₊₂
All Atoms:	43
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-82.3227
Area:	440.569
Solvation:	-93.3369
Coulombic:	91.0171

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	247.379
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	1.51
LogP (Chemaxon):	1.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value