2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide

C16H25N3O — CID 43460855

IUPAC2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-9-18-16(20)12(2)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyPGNFRAAZPSJORG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.15
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide

2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide (PubChem CID 43460855) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
PubChem CID43460855
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-9-18-16(20)12(2)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyPGNFRAAZPSJORG-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
CID 43460860
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
2-[(3-aminophenyl)methyl-propylamino]-N-propan-2-ylpropanamide
CID 43459791
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide (CID 43460855) is 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide?
The InChIKey is PGNFRAAZPSJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-18-16(20)12(2)19(15-7-8-15)11-13-5-4-6-14(17)10-13/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide?
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide is sourced from PubChem (CID 43460855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).