3-amino-3-methyl-1-pyridin-3-ylhexan-2-one

C12H18N2O — CID 116557063

IUPAC3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-6-12(2,13)11(15)8-10-5-4-7-14-9-10/h4-5,7,9H,3,6,8,13H2,1-2H3
InChIKeyJOEXKSPQRWTLLD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one

3-amino-3-methyl-1-pyridin-3-ylhexan-2-one (PubChem CID 116557063) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
PubChem CID116557063
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
SMILESCCCC(C)(N)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-3-6-12(2,13)11(15)8-10-5-4-7-14-9-10/h4-5,7,9H,3,6,8,13H2,1-2H3
InChIKeyJOEXKSPQRWTLLD-UHFFFAOYSA-N
XLogP1.71
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 60848389
2-amino-2-methyl-1-pyridin-3-ylpentan-1-one
CID 116557032
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
CID 104735994
3-amino-1-(2-chlorophenyl)-3-methylhexan-2-one
CID 116557106
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
2-fluoro-2-(pyridin-3-ylmethyl)pentan-1-amine
CID 104737462
1-pyridin-3-yldecan-2-one
CID 62621024
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
diethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate
CID 19075739

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one?
The IUPAC name of 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one (CID 116557063) is 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one is CCCC(C)(N)C(=O)Cc1cccnc1.
What is the InChIKey of 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one?
The InChIKey is JOEXKSPQRWTLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-6-12(2,13)11(15)8-10-5-4-7-14-9-10/h4-5,7,9H,3,6,8,13H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one?
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-pyridin-3-ylhexan-2-one is sourced from PubChem (CID 116557063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).