1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide

C13H19N3O — CID 113312782

IUPAC1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C13H19N3O/c1-16(2)11-6-4-3-5-10(11)15-12(17)13(9-14)7-8-13/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyWSMXCDBZPQBPMO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds4

About 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 113312782) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID113312782
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1(CN)CC1
InChIInChI=1S/C13H19N3O/c1-16(2)11-6-4-3-5-10(11)15-12(17)13(9-14)7-8-13/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyWSMXCDBZPQBPMO-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
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CID 113311587
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
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CID 113309812
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
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1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide (CID 113312782) is 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide is CN(C)c1ccccc1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WSMXCDBZPQBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)11-6-4-3-5-10(11)15-12(17)13(9-14)7-8-13/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113312782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).