1-(6-amino-5,5-dimethylhexyl)pyridin-4-one

C13H22N2O — CID 106708399

IUPAC1-(6-amino-5,5-dimethylhexyl)pyridin-4-one
SMILESCC(C)(CN)CCCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O/c1-13(2,11-14)7-3-4-8-15-9-5-12(16)6-10-15/h5-6,9-10H,3-4,7-8,11,14H2,1-2H3
InChIKeyYTSHRVDIDBDTQH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.00
Rot. Bonds6

About 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one

1-(6-amino-5,5-dimethylhexyl)pyridin-4-one (PubChem CID 106708399) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)pyridin-4-one
PubChem CID106708399
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(6-amino-5,5-dimethylhexyl)pyridin-4-one
SMILESCC(C)(CN)CCCCn1ccc(=O)cc1
InChIInChI=1S/C13H22N2O/c1-13(2,11-14)7-3-4-8-15-9-5-12(16)6-10-15/h5-6,9-10H,3-4,7-8,11,14H2,1-2H3
InChIKeyYTSHRVDIDBDTQH-UHFFFAOYSA-N
XLogP2.00
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.00
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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Related Compounds

1-(6-amino-5,5-dimethylhexyl)-3-propylimidazol-2-one
CID 106708444
2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one
CID 106708398
2-(6-amino-5,5-dimethylhexyl)-1H-pyridazine-3,6-dione
CID 106708339
1-(5-amino-4,4-dimethylpentyl)pyridin-2-one
CID 65254501
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
CID 106708160
3-(6-amino-5,5-dimethylhexyl)-1,3-benzoxazol-2-one
CID 106708351
tert-butyl 3-(4-oxo-1-pyridinyl)propanoate
CID 116662692
1-(2-tert-butylsulfonylethyl)pyridin-4-one
CID 106731656
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
CID 106707878
N-(2-aminoethyl)-6-(4-oxo-1-pyridinyl)hexanamide
CID 82030542
3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
CID 65255580
1-(6-amino-5,5-dimethylhexyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 106708431

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one (CID 106708399) is 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one is CC(C)(CN)CCCCn1ccc(=O)cc1.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one?
The InChIKey is YTSHRVDIDBDTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,11-14)7-3-4-8-15-9-5-12(16)6-10-15/h5-6,9-10H,3-4,7-8,11,14H2,1-2H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one?
1-(6-amino-5,5-dimethylhexyl)pyridin-4-one has a molecular weight of 222.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)pyridin-4-one is sourced from PubChem (CID 106708399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).