4-cyclohexyl-1,2-dihydropyridine

C11H17N — CID 5232413

IUPAC4-cyclohexyl-1,2-dihydropyridine
SMILESC1=CC(C2CCCCC2)=CCN1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6-8,10,12H,1-5,9H2
InChIKeyQIJVMEWKXZDWFI-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.61
Rot. Bonds1

About 4-cyclohexyl-1,2-dihydropyridine

4-cyclohexyl-1,2-dihydropyridine (PubChem CID 5232413) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-cyclohexyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-cyclohexyl-1,2-dihydropyridine
PubChem CID5232413
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-cyclohexyl-1,2-dihydropyridine
SMILESC1=CC(C2CCCCC2)=CCN1
InChIInChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6-8,10,12H,1-5,9H2
InChIKeyQIJVMEWKXZDWFI-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Pentyl-1,2-dihydropyridine
CID 407055
4-Butan-2-yl-1,2-dihydropyridine
CID 20611638
4-cyclohexyl-1-ethyl-2H-pyridine
CID 57026355
1-(1,5,6,7,8,8a-Hexahydroquinolin-8-yl)butane-1,4-diamine
CID 68952487
5-Hexyl-1,2-dihydropyridine
CID 69190826
(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine
CID 88863263
4-(3-Methylbutan-2-yl)-1,2-dihydropyridine
CID 89008856
(Z)-N-methyl-2-(4-methylcyclohexen-1-yl)ethenamine
CID 89017730
4-Cyclohexylcyclohexa-2,4-dien-1-amine
CID 89025313
(Z,3Z)-3-(3-methyl-2-methylidenecyclohexylidene)prop-1-en-1-amine
CID 89200148
2-[(1S)-cyclohex-3-en-1-yl]-N-methylcyclohexa-1,5-dien-1-amine
CID 89394697
4-cyclohexyl-1H-azepine
CID 89406123

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,2-dihydropyridine?
The IUPAC name of 4-cyclohexyl-1,2-dihydropyridine (CID 5232413) is 4-cyclohexyl-1,2-dihydropyridine.
What is the SMILES notation for 4-cyclohexyl-1,2-dihydropyridine?
The canonical SMILES for 4-cyclohexyl-1,2-dihydropyridine is C1=CC(C2CCCCC2)=CCN1.
What is the InChIKey of 4-cyclohexyl-1,2-dihydropyridine?
The InChIKey is QIJVMEWKXZDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h6-8,10,12H,1-5,9H2.
What are the key properties of 4-cyclohexyl-1,2-dihydropyridine?
4-cyclohexyl-1,2-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,2-dihydropyridine is sourced from PubChem (CID 5232413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).