3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one

C14H24N2O — CID 82524282

IUPAC3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one
SMILESCC(C)Cn1c(C(C)C)ccc(C(C)N)c1=O
InChIInChI=1S/C14H24N2O/c1-9(2)8-16-13(10(3)4)7-6-12(11(5)15)14(16)17/h6-7,9-11H,8,15H2,1-5H3
InChIKeyMBPBMYYFNDJSPN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.65
Rot. Bonds4

About 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one

3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82524282) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one
PubChem CID82524282
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one
SMILESCC(C)Cn1c(C(C)C)ccc(C(C)N)c1=O
InChIInChI=1S/C14H24N2O/c1-9(2)8-16-13(10(3)4)7-6-12(11(5)15)14(16)17/h6-7,9-11H,8,15H2,1-5H3
InChIKeyMBPBMYYFNDJSPN-UHFFFAOYSA-N
XLogP2.65
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one (CID 82524282) is 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one is CC(C)Cn1c(C(C)C)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is MBPBMYYFNDJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)8-16-13(10(3)4)7-6-12(11(5)15)14(16)17/h6-7,9-11H,8,15H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one?
3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-(2-methylpropyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).