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

C14H22ClN3O — CID 119927076

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O.ClH/c15-9-13-7-4-8-17(13)11-14(18)16-10-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2,(H,16,18);1H
InChIKeyVPJFTPYLBOPLEU-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.15
Rot. Bonds5

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

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride (PubChem CID 119927076) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
PubChem CID119927076
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NCc1ccccc1
InChIInChI=1S/C14H21N3O.ClH/c15-9-13-7-4-8-17(13)11-14(18)16-10-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2,(H,16,18);1H
InChIKeyVPJFTPYLBOPLEU-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 119927205
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
N-benzyl-2-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 100842720
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride (CID 119927076) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride is Cl.NCC1CCCN1CC(=O)NCc1ccccc1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride?
The InChIKey is VPJFTPYLBOPLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c15-9-13-7-4-8-17(13)11-14(18)16-10-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11,15H2,(H,16,18);1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride is sourced from PubChem (CID 119927076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).