4-cyclohexyl-5-methyl-3,4-dihydropyridine

C12H19N — CID 57010115

IUPAC4-cyclohexyl-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C1CCCCC1
InChIInChI=1S/C12H19N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyRPXOPMBPJAYKBL-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.56
Rot. Bonds1

About 4-cyclohexyl-5-methyl-3,4-dihydropyridine

4-cyclohexyl-5-methyl-3,4-dihydropyridine (PubChem CID 57010115) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-3,4-dihydropyridine
PubChem CID57010115
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-cyclohexyl-5-methyl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C1CCCCC1
InChIInChI=1S/C12H19N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h8-9,11-12H,2-7H2,1H3
InChIKeyRPXOPMBPJAYKBL-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
1-cyclohexyl-N-(cyclohexylidenemethyl)methanimine
CID 20436160
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
4-Cyclohexyl-3,4-dihydropyridine
CID 53946718
4-Cyclooctyl-5-methyl-3,4-dihydropyridine
CID 56982808
5-Methyl-4-propan-2-yl-3,4-dihydropyridine
CID 57276957
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
5-Methyl-3-propyl-3,4-dihydropyridine
CID 89697915
7-Propan-2-yl-4a,5,6,7,8,8a-hexahydroisoquinoline
CID 89973777
8-Propan-2-yl-4a,5,6,7,8,8a-hexahydroisoquinoline
CID 89973779
1,4-Dimethyl-4a,5,6,7,8,9,10,11,12,13,14,14a-dodecahydrocyclododeca[c]pyridine
CID 89994118

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-methyl-3,4-dihydropyridine?
The IUPAC name of 4-cyclohexyl-5-methyl-3,4-dihydropyridine (CID 57010115) is 4-cyclohexyl-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-cyclohexyl-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-cyclohexyl-5-methyl-3,4-dihydropyridine is CC1=CN=CCC1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methyl-3,4-dihydropyridine?
The InChIKey is RPXOPMBPJAYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 4-cyclohexyl-5-methyl-3,4-dihydropyridine?
4-cyclohexyl-5-methyl-3,4-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 57010115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).