5-(1-aminocyclohexyl)-1-methylpyridin-2-one

C12H18N2O — CID 10104444

IUPAC5-(1-aminocyclohexyl)-1-methylpyridin-2-one
SMILESCn1cc(C2(N)CCCCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-14-9-10(5-6-11(14)15)12(13)7-3-2-4-8-12/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyLCNNCRLSVSPQLE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.50
Rot. Bonds1

About 5-(1-aminocyclohexyl)-1-methylpyridin-2-one

5-(1-aminocyclohexyl)-1-methylpyridin-2-one (PubChem CID 10104444) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-1-methylpyridin-2-one
PubChem CID10104444
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(1-aminocyclohexyl)-1-methylpyridin-2-one
SMILESCn1cc(C2(N)CCCCC2)ccc1=O
InChIInChI=1S/C12H18N2O/c1-14-9-10(5-6-11(14)15)12(13)7-3-2-4-8-12/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyLCNNCRLSVSPQLE-UHFFFAOYSA-N
XLogP1.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1-aminocyclohexyl)-1-methylpyridin-2-one (CID 10104444) is 5-(1-aminocyclohexyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-aminocyclohexyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-aminocyclohexyl)-1-methylpyridin-2-one is Cn1cc(C2(N)CCCCC2)ccc1=O.
What is the InChIKey of 5-(1-aminocyclohexyl)-1-methylpyridin-2-one?
The InChIKey is LCNNCRLSVSPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-9-10(5-6-11(14)15)12(13)7-3-2-4-8-12/h5-6,9H,2-4,7-8,13H2,1H3.
What are the key properties of 5-(1-aminocyclohexyl)-1-methylpyridin-2-one?
5-(1-aminocyclohexyl)-1-methylpyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-1-methylpyridin-2-one is sourced from PubChem (CID 10104444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).