2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride

C17H28ClN3O — CID 120771539

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)C(C)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-4-14-5-7-15(8-6-14)19-16(21)13(2)20-10-9-17(3,11-18)12-20;/h5-8,13H,4,9-12,18H2,1-3H3,(H,19,21);1H
InChIKeyUPTBQPVEOBLNMH-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride (PubChem CID 120771539) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
PubChem CID120771539
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
SMILESCCc1ccc(NC(=O)C(C)N2CCC(C)(CN)C2)cc1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-4-14-5-7-15(8-6-14)19-16(21)13(2)20-10-9-17(3,11-18)12-20;/h5-8,13H,4,9-12,18H2,1-3H3,(H,19,21);1H
InChIKeyUPTBQPVEOBLNMH-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 120772320
N-(4-ethylphenyl)-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propanamide
CID 126812624
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 120771602

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride (CID 120771539) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride is CCc1ccc(NC(=O)C(C)N2CCC(C)(CN)C2)cc1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride?
The InChIKey is UPTBQPVEOBLNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-4-14-5-7-15(8-6-14)19-16(21)13(2)20-10-9-17(3,11-18)12-20;/h5-8,13H,4,9-12,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.67, 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-(4-ethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120771539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).