2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride

C15H24ClN3O — CID 119917902

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CN1CCC(CN)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17(10-13-5-3-2-4-6-13)15(19)12-18-8-7-14(9-16)11-18;/h2-6,14H,7-12,16H2,1H3;1H
InChIKeyYONZKAAYFDDZKM-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.35
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride (PubChem CID 119917902) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
PubChem CID119917902
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CN1CCC(CN)C1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17(10-13-5-3-2-4-6-13)15(19)12-18-8-7-14(9-16)11-18;/h2-6,14H,7-12,16H2,1H3;1H
InChIKeyYONZKAAYFDDZKM-UHFFFAOYSA-N
XLogP1.35
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
2-(4-amino-3-ethylpiperidin-1-yl)-N-benzyl-N-methylacetamide
CID 81452559
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 62063106
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-(2-aminoethyl)-1-[2-[benzyl(methyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119916928
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 111442763
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidin-3-yl]acetamide
CID 131963538
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride (CID 119917902) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride is CN(Cc1ccccc1)C(=O)CN1CCC(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The InChIKey is YONZKAAYFDDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-17(10-13-5-3-2-4-6-13)15(19)12-18-8-7-14(9-16)11-18;/h2-6,14H,7-12,16H2,1H3;1H.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119917902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).