2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide

C22H29N3O — CID 120772324

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C)(CN)C1
InChIInChI=1S/C22H29N3O/c1-17(25-14-13-22(2,15-23)16-25)21(26)24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16,23H2,1-2H3,(H,24,26)
InChIKeyFBMWQEZBWOCCSL-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.95
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide (PubChem CID 120772324) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
PubChem CID120772324
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C)(CN)C1
InChIInChI=1S/C22H29N3O/c1-17(25-14-13-22(2,15-23)16-25)21(26)24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16,23H2,1-2H3,(H,24,26)
InChIKeyFBMWQEZBWOCCSL-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.95
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-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 120772528
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
CID 120772553
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120771375

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide (CID 120772324) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide is CC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide?
The InChIKey is FBMWQEZBWOCCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(25-14-13-22(2,15-23)16-25)21(26)24-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,13-16,23H2,1-2H3,(H,24,26).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide has a molecular weight of 351.49 g/mol, XLogP of 2.95, 6 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-benzhydrylpropanamide is sourced from PubChem (CID 120772324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).