2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride

C15H24ClN3O — CID 119918090

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CN1CCC(CN)C1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)17-15(19)11-18-8-7-13(9-16)10-18;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);1H
InChIKeyNFDVWZNEERHSGE-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.57
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride (PubChem CID 119918090) 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-(1-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
PubChem CID119918090
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCC(NC(=O)CN1CCC(CN)C1)c1ccccc1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)17-15(19)11-18-8-7-13(9-16)10-18;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);1H
InChIKeyNFDVWZNEERHSGE-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 97089008
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride (CID 119918090) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride is CC(NC(=O)CN1CCC(CN)C1)c1ccccc1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The InChIKey is NFDVWZNEERHSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-12(14-5-3-2-4-6-14)17-15(19)11-18-8-7-13(9-16)10-18;/h2-6,12-13H,7-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119918090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).