2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide

C15H22N2O — CID 79980218

IUPAC2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-17(2)15(18)14(10-16)9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyOPRCUCDWJALJIA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide

2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide (PubChem CID 79980218) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide
PubChem CID79980218
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-17(2)15(18)14(10-16)9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,7-10,16H2,1-2H3
InChIKeyOPRCUCDWJALJIA-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide (CID 79980218) is 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide is CN(C)C(=O)C(CN)Cc1ccc(C2CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide?
The InChIKey is OPRCUCDWJALJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(2)15(18)14(10-16)9-11-3-5-12(6-4-11)13-7-8-13/h3-6,13-14H,7-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide?
2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-cyclopropylphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 79980218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).