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

C15H24ClN3O — CID 119927034

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CN1CCCC1CN.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17(11-13-6-3-2-4-7-13)15(19)12-18-9-5-8-14(18)10-16;/h2-4,6-7,14H,5,8-12,16H2,1H3;1H
InChIKeyBNWDFUBPSQTADV-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.49
Rot. Bonds5

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride (PubChem CID 119927034) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
PubChem CID119927034
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CN1CCCC1CN.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17(11-13-6-3-2-4-7-13)15(19)12-18-9-5-8-14(18)10-16;/h2-4,6-7,14H,5,8-12,16H2,1H3;1H
InChIKeyBNWDFUBPSQTADV-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119917902
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride (CID 119927034) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride is CN(Cc1ccccc1)C(=O)CN1CCCC1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
The InChIKey is BNWDFUBPSQTADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-17(11-13-6-3-2-4-7-13)15(19)12-18-9-5-8-14(18)10-16;/h2-4,6-7,14H,5,8-12,16H2,1H3;1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).