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Chemical ID: 7133189

Chemical ID:

7133189

Name [?]:

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

SMILES [?]:

CC1CCC[NH+](C1)C2CC[NH+](CC2)C3CCCCC3

InChi [?]:

InChI=1/C17H32N2/c1-15-6-5-11-19(14-15)17-9-12-18(13-10-17)16-7-3-2-4-8-16/h15-17H,2-14H2,1H3/p+2

InChi Info:

AuxInfo=1/1/N:1,17,16,18,4,3,15,19,9,13,5,10,12,7,2,14,8,11,6/E:(3,4)(7,8)(9,10)(12,13)/rA:19cCCCCCN+CCCCN+CCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₃₄N₂₊₂
All Atoms:	53
Heavy Atoms:	19
Chiral Atoms:	2

ZAP Information [?]

Total:	-80.0833
Area:	461.91
Solvation:	-91.631
Coulombic:	93.5913

Bond Count [?]

All:	21
Single:	21
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	266.465
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.45
LogP (Chemaxon):	2.84

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