3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one

C15H26N2O — CID 82525147

IUPAC3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
SMILESCCCCn1c(C)ccc(CNC(C)CC)c1=O
InChIInChI=1S/C15H26N2O/c1-5-7-10-17-13(4)8-9-14(15(17)18)11-16-12(3)6-2/h8-9,12,16H,5-7,10-11H2,1-4H3
InChIKeyRHTCOOYPFCVRLG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.84
Rot. Bonds7

About 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one

3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one (PubChem CID 82525147) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
PubChem CID82525147
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
SMILESCCCCn1c(C)ccc(CNC(C)CC)c1=O
InChIInChI=1S/C15H26N2O/c1-5-7-10-17-13(4)8-9-14(15(17)18)11-16-12(3)6-2/h8-9,12,16H,5-7,10-11H2,1-4H3
InChIKeyRHTCOOYPFCVRLG-UHFFFAOYSA-N
XLogP2.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one (CID 82525147) is 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one is CCCCn1c(C)ccc(CNC(C)CC)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one?
The InChIKey is RHTCOOYPFCVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-10-17-13(4)8-9-14(15(17)18)11-16-12(3)6-2/h8-9,12,16H,5-7,10-11H2,1-4H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one is sourced from PubChem (CID 82525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).