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Chemical ID: 7193416

Chemical ID:

7193416

Name [?]:

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

SMILES [?]:

CC1CC[NH+](CC1)C2CC[NH+](CC2)C3CCCCCC3

InChi [?]:

InChI=1/C18H34N2/c1-16-8-12-19(13-9-16)18-10-14-20(15-11-18)17-6-4-2-3-5-7-17/h16-18H,2-15H2,1H3/p+2

InChi Info:

AuxInfo=1/1/N:1,17,18,16,19,15,20,3,7,9,13,4,6,10,12,2,14,8,5,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:20nCCCCN+CCCCCN+CCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₃₆N₂₊₂
All Atoms:	56
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-79.8241
Area:	477.064
Solvation:	-91.7507
Coulombic:	93.4114

Bond Count [?]

All:	22
Single:	22
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	280.492
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.23
LogP (Chemaxon):	3.17

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