2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide

C14H21N3O — CID 43384089

IUPAC2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)10-17(13-7-8-13)9-11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3
InChIKeyPSYAMCLKDMKPHI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.32
Rot. Bonds5

About 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide

2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide (PubChem CID 43384089) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
PubChem CID43384089
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)10-17(13-7-8-13)9-11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3
InChIKeyPSYAMCLKDMKPHI-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide (CID 43384089) is 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide?
The InChIKey is PSYAMCLKDMKPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)10-17(13-7-8-13)9-11-3-5-12(15)6-4-11/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide?
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43384089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).