1-[2-(aminomethyl)cyclohexyl]pyridin-2-one

C12H18N2O — CID 43428508

IUPAC1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
SMILESNCC1CCCCC1n1ccccc1=O
InChIInChI=1S/C12H18N2O/c13-9-10-5-1-2-6-11(10)14-8-4-3-7-12(14)15/h3-4,7-8,10-11H,1-2,5-6,9,13H2
InChIKeyXRDFJRJDMGUREV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

About 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one

1-[2-(aminomethyl)cyclohexyl]pyridin-2-one (PubChem CID 43428508) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
PubChem CID43428508
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-(aminomethyl)cyclohexyl]pyridin-2-one
SMILESNCC1CCCCC1n1ccccc1=O
InChIInChI=1S/C12H18N2O/c13-9-10-5-1-2-6-11(10)14-8-4-3-7-12(14)15/h3-4,7-8,10-11H,1-2,5-6,9,13H2
InChIKeyXRDFJRJDMGUREV-UHFFFAOYSA-N
XLogP1.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one (CID 43428508) is 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one is NCC1CCCCC1n1ccccc1=O.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one?
The InChIKey is XRDFJRJDMGUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-10-5-1-2-6-11(10)14-8-4-3-7-12(14)15/h3-4,7-8,10-11H,1-2,5-6,9,13H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one?
1-[2-(aminomethyl)cyclohexyl]pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]pyridin-2-one is sourced from PubChem (CID 43428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).