3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide

C15H23N3O — CID 54879017

IUPAC3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)9-10-18(13-7-8-13)11-12-5-3-4-6-14(12)16/h3-6,13H,7-11,16H2,1-2H3
InChIKeyPXILRHFHCDMNHN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds6

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

3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide (PubChem CID 54879017) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
PubChem CID54879017
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)9-10-18(13-7-8-13)11-12-5-3-4-6-14(12)16/h3-6,13H,7-11,16H2,1-2H3
InChIKeyPXILRHFHCDMNHN-UHFFFAOYSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide (CID 54879017) is 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide?
The InChIKey is PXILRHFHCDMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)15(19)9-10-18(13-7-8-13)11-12-5-3-4-6-14(12)16/h3-6,13H,7-11,16H2,1-2H3.
What are the key properties of 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide?
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).