[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C15H26N2O — CID 106313749

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C15H26N2O/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(2)10-17/h4,12H,3,5-11,16H2,1-2H3
InChIKeyLEQWRAOVLOFWBV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.32
Rot. Bonds2

About [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106313749) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106313749
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C15H26N2O/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(2)10-17/h4,12H,3,5-11,16H2,1-2H3
InChIKeyLEQWRAOVLOFWBV-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106313749) is [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)C2(CN)CCC(C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LEQWRAOVLOFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(2)10-17/h4,12H,3,5-11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106313749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).