2-(1-cyclohexylbutyl)-3,4-dihydropyridine

C15H25N — CID 138474183

IUPAC2-(1-cyclohexylbutyl)-3,4-dihydropyridine
SMILESCCCC(C1=NC=CCC1)C1CCCCC1
InChIInChI=1S/C15H25N/c1-2-8-14(13-9-4-3-5-10-13)15-11-6-7-12-16-15/h7,12-14H,2-6,8-11H2,1H3
InChIKeySLBRWJUPNROULD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.73
Rot. Bonds4

About 2-(1-cyclohexylbutyl)-3,4-dihydropyridine

2-(1-cyclohexylbutyl)-3,4-dihydropyridine (PubChem CID 138474183) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-(1-cyclohexylbutyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(1-cyclohexylbutyl)-3,4-dihydropyridine
PubChem CID138474183
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-(1-cyclohexylbutyl)-3,4-dihydropyridine
SMILESCCCC(C1=NC=CCC1)C1CCCCC1
InChIInChI=1S/C15H25N/c1-2-8-14(13-9-4-3-5-10-13)15-11-6-7-12-16-15/h7,12-14H,2-6,8-11H2,1H3
InChIKeySLBRWJUPNROULD-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylbutyl)-3,4-dihydropyridine?
The IUPAC name of 2-(1-cyclohexylbutyl)-3,4-dihydropyridine (CID 138474183) is 2-(1-cyclohexylbutyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(1-cyclohexylbutyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(1-cyclohexylbutyl)-3,4-dihydropyridine is CCCC(C1=NC=CCC1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylbutyl)-3,4-dihydropyridine?
The InChIKey is SLBRWJUPNROULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-2-8-14(13-9-4-3-5-10-13)15-11-6-7-12-16-15/h7,12-14H,2-6,8-11H2,1H3.
What are the key properties of 2-(1-cyclohexylbutyl)-3,4-dihydropyridine?
2-(1-cyclohexylbutyl)-3,4-dihydropyridine has a molecular weight of 219.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylbutyl)-3,4-dihydropyridine is sourced from PubChem (CID 138474183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).