1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide

C15H22N2O — CID 80599044

IUPAC1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
SMILESCCCCN(C(=O)C1(CN)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-11-17(13-7-5-4-6-8-13)14(18)15(12-16)9-10-15/h4-8H,2-3,9-12,16H2,1H3
InChIKeyZBGPWHAKJSLAPT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide

1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide (PubChem CID 80599044) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
PubChem CID80599044
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide
SMILESCCCCN(C(=O)C1(CN)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-11-17(13-7-5-4-6-8-13)14(18)15(12-16)9-10-15/h4-8H,2-3,9-12,16H2,1H3
InChIKeyZBGPWHAKJSLAPT-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-benzyl-N-phenylcycloheptane-1-carboxamide
CID 113310819
1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
CID 64584223
N-butyl-N-phenylprop-2-enamide
CID 43619884
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
CID 65291538
octyl(phenyl)carbamic acid
CID 54301990
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131
N-hexyl-N-phenylacetamide
CID 13217997

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide (CID 80599044) is 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide is CCCCN(C(=O)C1(CN)CC1)c1ccccc1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide?
The InChIKey is ZBGPWHAKJSLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-11-17(13-7-5-4-6-8-13)14(18)15(12-16)9-10-15/h4-8H,2-3,9-12,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 80599044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).