3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide

C13H19N3O — CID 43460663

IUPAC3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyUKCCQXGYFRIISG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.11
Rot. Bonds6

About 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide

3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide (PubChem CID 43460663) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
PubChem CID43460663
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyUKCCQXGYFRIISG-UHFFFAOYSA-N
XLogP1.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
CID 43384089
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
4-[[cyclopropyl(3-ethylsulfonylpropyl)amino]methyl]aniline
CID 65093300
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
4-[(4-carbamoylphenyl)methyl-cyclopropylamino]butanoic acid
CID 119134489
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide
CID 69156572
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
4-[[cyclopropyl(2-phenylsulfanylethyl)amino]methyl]aniline
CID 79227847

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide?
The IUPAC name of 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide (CID 43460663) is 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide.
What is the SMILES notation for 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide?
The canonical SMILES for 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide is NC(=O)CCN(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide?
The InChIKey is UKCCQXGYFRIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-3-1-10(2-4-11)9-16(12-5-6-12)8-7-13(15)17/h1-4,12H,5-9,14H2,(H2,15,17).
What are the key properties of 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide?
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide is sourced from PubChem (CID 43460663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).