3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one

C13H20N2O — CID 67869176

IUPAC3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one
SMILESCNC1(c2c[nH]c(=O)c(C)c2)CCCCC1
InChIInChI=1S/C13H20N2O/c1-10-8-11(9-15-12(10)16)13(14-2)6-4-3-5-7-13/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyRKHWPDDNHJXDJT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.06
Rot. Bonds2

About 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one

3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one (PubChem CID 67869176) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one
PubChem CID67869176
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one
SMILESCNC1(c2c[nH]c(=O)c(C)c2)CCCCC1
InChIInChI=1S/C13H20N2O/c1-10-8-11(9-15-12(10)16)13(14-2)6-4-3-5-7-13/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyRKHWPDDNHJXDJT-UHFFFAOYSA-N
XLogP2.06
TPSA44.89 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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one (CID 67869176) is 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one is CNC1(c2c[nH]c(=O)c(C)c2)CCCCC1.
What is the InChIKey of 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one?
The InChIKey is RKHWPDDNHJXDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-11(9-15-12(10)16)13(14-2)6-4-3-5-7-13/h8-9,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one?
3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(methylamino)cyclohexyl]-1H-pyridin-2-one is sourced from PubChem (CID 67869176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).