2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide

C16H24N2O — CID 79977413

IUPAC2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccccc1C1CC1
InChIInChI=1S/C16H24N2O/c1-2-9-18-16(19)14(11-17)10-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14H,2,7-11,17H2,1H3,(H,18,19)
InChIKeyIDFQYTKCODCLIS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds7

About 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide

2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide (PubChem CID 79977413) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide
PubChem CID79977413
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccccc1C1CC1
InChIInChI=1S/C16H24N2O/c1-2-9-18-16(19)14(11-17)10-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14H,2,7-11,17H2,1H3,(H,18,19)
InChIKeyIDFQYTKCODCLIS-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-4-(2-cyclopropylphenyl)butan-2-one
CID 90076481
2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
CID 62097513
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79976736
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
3-(2-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114606308
2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
CID 66163689
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
2-(aminomethyl)-3-(2-methylpyrimidin-4-yl)-N-propylpropanamide
CID 115527337
4-amino-2-cyclopropyl-N-propylbenzamide
CID 170995540

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide (CID 79977413) is 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1ccccc1C1CC1.
What is the InChIKey of 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide?
The InChIKey is IDFQYTKCODCLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-9-18-16(19)14(11-17)10-13-5-3-4-6-15(13)12-7-8-12/h3-6,12,14H,2,7-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide?
2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-cyclopropylphenyl)-N-propylpropanamide is sourced from PubChem (CID 79977413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).