2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide

C15H23N3O — CID 120772947

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
SMILESCC1(CN)CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-15(11-16)7-8-18(12-15)10-14(19)17-9-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19)
InChIKeyRQKIDOZVYQWKDD-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide (PubChem CID 120772947) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
PubChem CID120772947
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
SMILESCC1(CN)CCN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-15(11-16)7-8-18(12-15)10-14(19)17-9-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19)
InChIKeyRQKIDOZVYQWKDD-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 120771390
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120771393
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120773098
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 120773560
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 120772746
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120772368
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 120773236
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide (CID 120772947) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide is CC1(CN)CCN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide?
The InChIKey is RQKIDOZVYQWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(11-16)7-8-18(12-15)10-14(19)17-9-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide has a molecular weight of 261.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 120772947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).