1-[3-(2-methylpropylamino)propyl]pyridin-2-one

C12H20N2O — CID 62564337

IUPAC1-[3-(2-methylpropylamino)propyl]pyridin-2-one
SMILESCC(C)CNCCCn1ccccc1=O
InChIInChI=1S/C12H20N2O/c1-11(2)10-13-7-5-9-14-8-4-3-6-12(14)15/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
InChIKeyASNINIUYDNXZFN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.48
Rot. Bonds6

About 1-[3-(2-methylpropylamino)propyl]pyridin-2-one

1-[3-(2-methylpropylamino)propyl]pyridin-2-one (PubChem CID 62564337) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[3-(2-methylpropylamino)propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(2-methylpropylamino)propyl]pyridin-2-one
PubChem CID62564337
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[3-(2-methylpropylamino)propyl]pyridin-2-one
SMILESCC(C)CNCCCn1ccccc1=O
InChIInChI=1S/C12H20N2O/c1-11(2)10-13-7-5-9-14-8-4-3-6-12(14)15/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3
InChIKeyASNINIUYDNXZFN-UHFFFAOYSA-N
XLogP1.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 114761559
1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 62562943
1-[2-hydroxy-3-(2-methylpropylamino)propyl]pyridin-2-one
CID 115475518
1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
CID 131902087
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
1-methyl-4-[4-(2-methylpropylamino)butyl]pyrazine-2,3-dione
CID 55155095
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
2-methyl-N-[3-(3-methylindol-1-yl)propyl]propan-1-amine
CID 62565422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropylamino)propyl]pyridin-2-one?
The IUPAC name of 1-[3-(2-methylpropylamino)propyl]pyridin-2-one (CID 62564337) is 1-[3-(2-methylpropylamino)propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(2-methylpropylamino)propyl]pyridin-2-one?
The canonical SMILES for 1-[3-(2-methylpropylamino)propyl]pyridin-2-one is CC(C)CNCCCn1ccccc1=O.
What is the InChIKey of 1-[3-(2-methylpropylamino)propyl]pyridin-2-one?
The InChIKey is ASNINIUYDNXZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)10-13-7-5-9-14-8-4-3-6-12(14)15/h3-4,6,8,11,13H,5,7,9-10H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropylamino)propyl]pyridin-2-one?
1-[3-(2-methylpropylamino)propyl]pyridin-2-one has a molecular weight of 208.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropylamino)propyl]pyridin-2-one is sourced from PubChem (CID 62564337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).