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

C13H21N — CID 138474161

IUPAC2-(1-cyclohexylethyl)-3,4-dihydropyridine
SMILESCC(C1=NC=CCC1)C1CCCCC1
InChIInChI=1S/C13H21N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h6,10-12H,2-5,7-9H2,1H3
InChIKeyLUBUUUKBQGPARA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.95
Rot. Bonds2

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

2-(1-cyclohexylethyl)-3,4-dihydropyridine (PubChem CID 138474161) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)-3,4-dihydropyridine
PubChem CID138474161
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(1-cyclohexylethyl)-3,4-dihydropyridine
SMILESCC(C1=NC=CCC1)C1CCCCC1
InChIInChI=1S/C13H21N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h6,10-12H,2-5,7-9H2,1H3
InChIKeyLUBUUUKBQGPARA-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)-3,4-dihydropyridine?
The IUPAC name of 2-(1-cyclohexylethyl)-3,4-dihydropyridine (CID 138474161) is 2-(1-cyclohexylethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-(1-cyclohexylethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-(1-cyclohexylethyl)-3,4-dihydropyridine is CC(C1=NC=CCC1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethyl)-3,4-dihydropyridine?
The InChIKey is LUBUUUKBQGPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h6,10-12H,2-5,7-9H2,1H3.
What are the key properties of 2-(1-cyclohexylethyl)-3,4-dihydropyridine?
2-(1-cyclohexylethyl)-3,4-dihydropyridine has a molecular weight of 191.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)-3,4-dihydropyridine is sourced from PubChem (CID 138474161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).