3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one

C13H20N2O — CID 67124359

IUPAC3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CCCCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C13H20N2O/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h7,10H,2-6,8,14H2,1H3,(H,15,16)
InChIKeyPBGAZQLIFHVHCX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds2

About 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one

3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one (PubChem CID 67124359) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one
PubChem CID67124359
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C2CCCCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C13H20N2O/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h7,10H,2-6,8,14H2,1H3,(H,15,16)
InChIKeyPBGAZQLIFHVHCX-UHFFFAOYSA-N
XLogP2.19
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one (CID 67124359) is 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one is Cc1cc(C2CCCCC2)c(CN)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one?
The InChIKey is PBGAZQLIFHVHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h7,10H,2-6,8,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one?
3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 67124359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).