3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide

C15H23N3O — CID 120771754

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC1(CN)CCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-15(11-16)8-10-18(12-15)9-7-14(19)17-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19)
InChIKeyKWANOMYNPMHVJY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds5

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide (PubChem CID 120771754) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
PubChem CID120771754
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC1(CN)CCN(CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-15(11-16)8-10-18(12-15)9-7-14(19)17-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19)
InChIKeyKWANOMYNPMHVJY-UHFFFAOYSA-N
XLogP1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-phenylpropanamide
CID 120774507
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 120772660
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120772271

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide (CID 120771754) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide is CC1(CN)CCN(CCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide?
The InChIKey is KWANOMYNPMHVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(11-16)8-10-18(12-15)9-7-14(19)17-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19).
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 120771754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).