2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide

C13H19N3O — CID 102783638

IUPAC2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2)C1CN
InChIInChI=1S/C13H19N3O/c1-10-7-8-16(12(10)9-14)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyFRGMIUUPDOZBNH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

About 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide

2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide (PubChem CID 102783638) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
PubChem CID102783638
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccccc2)C1CN
InChIInChI=1S/C13H19N3O/c1-10-7-8-16(12(10)9-14)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyFRGMIUUPDOZBNH-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-methyl-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 102783676
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
CID 107654129
2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
CID 102786021
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
(1S,5S,9S)-2-N,6-N,10-N-triphenyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane-2,6,10-tricarboxamide
CID 97299719
3-ethyl-2-methyl-N-phenylthiomorpholine-4-carboxamide
CID 12517890
2-(hydroxymethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 102786005
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
(2S,3R)-N-(4-cyclopentyloxyphenyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99828953
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide (CID 102783638) is 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide is CC1CCN(C(=O)Nc2ccccc2)C1CN.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is FRGMIUUPDOZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-7-8-16(12(10)9-14)13(17)15-11-5-3-2-4-6-11/h2-6,10,12H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide?
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 102783638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).