1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one

C14H24N2O2 — CID 82897765

IUPAC1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one
SMILESCC(C)CC(C)(O)CNCCn1ccccc1=O
InChIInChI=1S/C14H24N2O2/c1-12(2)10-14(3,18)11-15-7-9-16-8-5-4-6-13(16)17/h4-6,8,12,15,18H,7,9-11H2,1-3H3
InChIKeyBVTSYDOLHUDQKR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds7

About 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one

1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one (PubChem CID 82897765) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one
PubChem CID82897765
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one
SMILESCC(C)CC(C)(O)CNCCn1ccccc1=O
InChIInChI=1S/C14H24N2O2/c1-12(2)10-14(3,18)11-15-7-9-16-8-5-4-6-13(16)17/h4-6,8,12,15,18H,7,9-11H2,1-3H3
InChIKeyBVTSYDOLHUDQKR-UHFFFAOYSA-N
XLogP1.24
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one (CID 82897765) is 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one is CC(C)CC(C)(O)CNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one?
The InChIKey is BVTSYDOLHUDQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)10-14(3,18)11-15-7-9-16-8-5-4-6-13(16)17/h4-6,8,12,15,18H,7,9-11H2,1-3H3.
What are the key properties of 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one?
1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).