1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine

C12H21N — CID 15930257

IUPAC1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h10,12H,2-9H2,1H3
InChIKeyNCUAXBYNJMFAQK-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.32
Rot. Bonds1

About 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine

1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine (PubChem CID 15930257) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine
PubChem CID15930257
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C2CCCCC2)CCC1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h10,12H,2-9H2,1H3
InChIKeyNCUAXBYNJMFAQK-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine (CID 15930257) is 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine is CC1=CN(C2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is NCUAXBYNJMFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h10,12H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine?
1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 15930257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).