Chemical ID: 4956911

CC(C)C(c1ccccc1)C(CC[N+]2(CCCCC2)C)O
Chemical ID:
4956911
Name [?]:
5-methyl-1-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-4-phenyl-hexan-3-ol
SMILES [?]:
CC(C)C(c1ccccc1)C(CC[N+]2(CCCCC2)C)O
InChi [?]:
InChI=1/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,20,8,17,7,9,16,18,6,10,12,15,19,13,2,5,11,4,14,21/E:(1,2)(6,7)(8,9)(10,11)(13,14)/CRV:20+1/rA:21cCCCCCCCCCCCCCN+CCCCCCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;s12;s13;s14;s15;s16;s17;s14s18;s14;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32NO+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-15.9387
Area:497.597
Solvation:-28.3786
Coulombic:3.87922
Bond Count [?]
All:22
Single:19
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.464
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):-0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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