3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one

C15H26N2O — CID 82526711

IUPAC3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(CNC(C)CC)c1=O
InChIInChI=1S/C15H26N2O/c1-4-6-7-10-17-11-8-9-14(15(17)18)12-16-13(3)5-2/h8-9,11,13,16H,4-7,10,12H2,1-3H3
InChIKeyGDLHUISCEGQSQC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds8

About 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one

3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one (PubChem CID 82526711) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
PubChem CID82526711
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(CNC(C)CC)c1=O
InChIInChI=1S/C15H26N2O/c1-4-6-7-10-17-11-8-9-14(15(17)18)12-16-13(3)5-2/h8-9,11,13,16H,4-7,10,12H2,1-3H3
InChIKeyGDLHUISCEGQSQC-UHFFFAOYSA-N
XLogP2.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one (CID 82526711) is 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one is CCCCCn1cccc(CNC(C)CC)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one?
The InChIKey is GDLHUISCEGQSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-10-17-11-8-9-14(15(17)18)12-16-13(3)5-2/h8-9,11,13,16H,4-7,10,12H2,1-3H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.93, 8 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-pentylpyridin-2-one is sourced from PubChem (CID 82526711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).