3-amino-4,4-dimethyl-1-phenylpentan-1-one

C13H19NO — CID 116608460

IUPAC3-amino-4,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)9-11(15)10-7-5-4-6-8-10/h4-8,12H,9,14H2,1-3H3
InChIKeyZGCMPTDPXKUSGJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.63
Rot. Bonds3

About 3-amino-4,4-dimethyl-1-phenylpentan-1-one

3-amino-4,4-dimethyl-1-phenylpentan-1-one (PubChem CID 116608460) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-1-phenylpentan-1-one.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-1-phenylpentan-1-one
PubChem CID116608460
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-4,4-dimethyl-1-phenylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12(14)9-11(15)10-7-5-4-6-8-10/h4-8,12H,9,14H2,1-3H3
InChIKeyZGCMPTDPXKUSGJ-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-4,4-dimethyl-1-phenylpentan-1-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

3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
3-anilino-4,4-dimethyl-1-phenylpentan-1-one
CID 23635304
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
(2S)-2-amino-4-methyl-6-oxo-6-phenylhexanoic acid
CID 70525182
3-amino-1-phenyloctadecan-1-one
CID 54040118
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
CID 103308815
3-amino-3-hydroxy-1-phenylbutan-1-one
CID 141444107
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-1-phenylpentan-1-one?
The IUPAC name of 3-amino-4,4-dimethyl-1-phenylpentan-1-one (CID 116608460) is 3-amino-4,4-dimethyl-1-phenylpentan-1-one.
What is the SMILES notation for 3-amino-4,4-dimethyl-1-phenylpentan-1-one?
The canonical SMILES for 3-amino-4,4-dimethyl-1-phenylpentan-1-one is CC(C)(C)C(N)CC(=O)c1ccccc1.
What is the InChIKey of 3-amino-4,4-dimethyl-1-phenylpentan-1-one?
The InChIKey is ZGCMPTDPXKUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12(14)9-11(15)10-7-5-4-6-8-10/h4-8,12H,9,14H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-1-phenylpentan-1-one?
3-amino-4,4-dimethyl-1-phenylpentan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-1-phenylpentan-1-one is sourced from PubChem (CID 116608460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).