3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one

C15H21NO — CID 116608801

IUPAC3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
SMILESCCCc1cccc(C(=O)CC(N)C2CC2)c1
InChIInChI=1S/C15H21NO/c1-2-4-11-5-3-6-13(9-11)15(17)10-14(16)12-7-8-12/h3,5-6,9,12,14H,2,4,7-8,10,16H2,1H3
InChIKeyIXCDRTQXKPPQEE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds6

About 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one

3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one (PubChem CID 116608801) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
PubChem CID116608801
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
SMILESCCCc1cccc(C(=O)CC(N)C2CC2)c1
InChIInChI=1S/C15H21NO/c1-2-4-11-5-3-6-13(9-11)15(17)10-14(16)12-7-8-12/h3,5-6,9,12,14H,2,4,7-8,10,16H2,1H3
InChIKeyIXCDRTQXKPPQEE-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-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

2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583457
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
1-(3-propylphenyl)heptan-1-one
CID 115812204
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
CID 116608885
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
CID 116751194
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
2-amino-1-(3-propylphenyl)pent-4-yn-1-one
CID 116606647

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one (CID 116608801) is 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one is CCCc1cccc(C(=O)CC(N)C2CC2)c1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one?
The InChIKey is IXCDRTQXKPPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-4-11-5-3-6-13(9-11)15(17)10-14(16)12-7-8-12/h3,5-6,9,12,14H,2,4,7-8,10,16H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one?
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one is sourced from PubChem (CID 116608801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).