(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine

C12H21N — CID 168828324

IUPAC(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@H]1CC=C(C2CCCCC2)NC1
InChIInChI=1S/C12H21N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyZPAZNVCPVMAQBH-JTQLQIEISA-N
MW179.31 g/mol
LogP3.08
Rot. Bonds1

About (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine

(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 168828324) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID168828324
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine
SMILESC[C@H]1CC=C(C2CCCCC2)NC1
InChIInChI=1S/C12H21N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m0/s1
InChIKeyZPAZNVCPVMAQBH-JTQLQIEISA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-Cyclohexen-1-YL)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride
CID 11948824
2-Pyrroline, 2-cyclohexyl-
CID 19067922
N-cyclohexylcyclohexen-1-amine
CID 15273101
1,2,3,4,4a,5,6,7-Octahydroquinoline
CID 17933009
2,3,3a,4,5,6-hexahydro-1H-indole
CID 20231123
4-Dihydro-2,4-dihydro-2,4,6-tri-methylpyridine
CID 21326805
Octahydro-1-benzazepine
CID 117704185
1,4,4a,5,6,7-Hexahydroquinoline
CID 129880067
(2-Cyclohex-1-EN-1-ylethyl)(cyclohexylmethyl)amine
CID 1787863
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620

Frequently Asked Questions

What is the IUPAC name of (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine (CID 168828324) is (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine is C[C@H]1CC=C(C2CCCCC2)NC1.
What is the InChIKey of (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is ZPAZNVCPVMAQBH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine?
(3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-cyclohexyl-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 168828324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).