1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one

C15H24N2O — CID 113283756

IUPAC1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CN)CCCCC1C
InChIInChI=1S/C15H24N2O/c1-11-6-4-5-7-15(11,10-16)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyNQYOHAPBMLXGLV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds2

About 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one

1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one (PubChem CID 113283756) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one
PubChem CID113283756
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1(CN)CCCCC1C
InChIInChI=1S/C15H24N2O/c1-11-6-4-5-7-15(11,10-16)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyNQYOHAPBMLXGLV-UHFFFAOYSA-N
XLogP2.33
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one (CID 113283756) is 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1(CN)CCCCC1C.
What is the InChIKey of 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one?
The InChIKey is NQYOHAPBMLXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-4-5-7-15(11,10-16)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one?
1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one has a molecular weight of 248.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2-methylcyclohexyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 113283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).