4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one

C12H20N2O — CID 105462256

IUPAC4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(CC(C)N)cc1=O
InChIInChI=1S/C12H20N2O/c1-9(2)8-14-5-4-11(6-10(3)13)7-12(14)15/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKeyDRBCYRHXYJNXBT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds4

About 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one

4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105462256) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID105462256
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1ccc(CC(C)N)cc1=O
InChIInChI=1S/C12H20N2O/c1-9(2)8-14-5-4-11(6-10(3)13)7-12(14)15/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKeyDRBCYRHXYJNXBT-UHFFFAOYSA-N
XLogP1.39
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one (CID 105462256) is 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1ccc(CC(C)N)cc1=O.
What is the InChIKey of 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is DRBCYRHXYJNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)8-14-5-4-11(6-10(3)13)7-12(14)15/h4-5,7,9-10H,6,8,13H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one?
4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 208.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105462256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).