2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine

C20H35N — CID 138498225

IUPAC2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine
SMILESCCCCCCC1(C)CCCC(C2CC=CC(C)=N2)C1C
InChIInChI=1S/C20H35N/c1-5-6-7-8-14-20(4)15-10-12-18(17(20)3)19-13-9-11-16(2)21-19/h9,11,17-19H,5-8,10,12-15H2,1-4H3
InChIKeyGESOUSCMXOUYKO-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.19
Rot. Bonds6

About 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine

2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine (PubChem CID 138498225) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine
PubChem CID138498225
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine
SMILESCCCCCCC1(C)CCCC(C2CC=CC(C)=N2)C1C
InChIInChI=1S/C20H35N/c1-5-6-7-8-14-20(4)15-10-12-18(17(20)3)19-13-9-11-16(2)21-19/h9,11,17-19H,5-8,10,12-15H2,1-4H3
InChIKeyGESOUSCMXOUYKO-UHFFFAOYSA-N
XLogP6.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine?
The IUPAC name of 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine (CID 138498225) is 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine is CCCCCCC1(C)CCCC(C2CC=CC(C)=N2)C1C.
What is the InChIKey of 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine?
The InChIKey is GESOUSCMXOUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-6-7-8-14-20(4)15-10-12-18(17(20)3)19-13-9-11-16(2)21-19/h9,11,17-19H,5-8,10,12-15H2,1-4H3.
What are the key properties of 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine?
2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine has a molecular weight of 289.51 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexyl-2,3-dimethylcyclohexyl)-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 138498225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).