3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride

C8H13ClN2O — CID 155906203

IUPAC3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCC(N)c1cccn(C)c1=O.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-6(9)7-4-3-5-10(2)8(7)11;/h3-6H,9H2,1-2H3;1H
InChIKeySBMHJVJXVPUUTO-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.83
Rot. Bonds1

About 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride

3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride (PubChem CID 155906203) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride
PubChem CID155906203
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride
SMILESCC(N)c1cccn(C)c1=O.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-6(9)7-4-3-5-10(2)8(7)11;/h3-6H,9H2,1-2H3;1H
InChIKeySBMHJVJXVPUUTO-UHFFFAOYSA-N
XLogP0.83
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethylpyridin-2-one;ethane
CID 91539152
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
4-(1-aminoethyl)-2-methyl-1H-indazol-3-one
CID 105445090
2-amino-3-(1-methyl-2-oxo-3-pyridinyl)propanamide
CID 170632101
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-[2-(1-methylimidazol-2-yl)phenyl]ethanamine
CID 63976847
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
3-acetyl-1-methylpyridin-2-one
CID 82527252
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride?
The IUPAC name of 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride (CID 155906203) is 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride?
The canonical SMILES for 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride is CC(N)c1cccn(C)c1=O.Cl.
What is the InChIKey of 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride?
The InChIKey is SBMHJVJXVPUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-6(9)7-4-3-5-10(2)8(7)11;/h3-6H,9H2,1-2H3;1H.
What are the key properties of 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride?
3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-methylpyridin-2-one;hydrochloride is sourced from PubChem (CID 155906203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).