2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide

C17H27N3O — CID 61489764

IUPAC2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C17H27N3O/c1-3-6-13(2)19-17(21)12-20(15-9-10-15)11-14-7-4-5-8-16(14)18/h4-5,7-8,13,15H,3,6,9-12,18H2,1-2H3,(H,19,21)
InChIKeyTYHDPVJFZATOAJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.54
Rot. Bonds8

About 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide

2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide (PubChem CID 61489764) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
PubChem CID61489764
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C17H27N3O/c1-3-6-13(2)19-17(21)12-20(15-9-10-15)11-14-7-4-5-8-16(14)18/h4-5,7-8,13,15H,3,6,9-12,18H2,1-2H3,(H,19,21)
InChIKeyTYHDPVJFZATOAJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.54
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-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8978259
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
CID 61488701
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide (CID 61489764) is 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide?
The InChIKey is TYHDPVJFZATOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-6-13(2)19-17(21)12-20(15-9-10-15)11-14-7-4-5-8-16(14)18/h4-5,7-8,13,15H,3,6,9-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide?
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61489764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).