2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide

C20H31N3O — CID 120773560

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESCC1(CN)CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C20H31N3O/c1-19(14-21)11-12-23(16-19)13-18(24)22-15-20(9-5-6-10-20)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16,21H2,1H3,(H,22,24)
InChIKeyZBNTZNZNUYLWHQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.29
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 120773560) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID120773560
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESCC1(CN)CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C20H31N3O/c1-19(14-21)11-12-23(16-19)13-18(24)22-15-20(9-5-6-10-20)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16,21H2,1H3,(H,22,24)
InChIKeyZBNTZNZNUYLWHQ-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
CID 120772174
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 120772746
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 120773560) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide is CC1(CN)CCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is ZBNTZNZNUYLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-19(14-21)11-12-23(16-19)13-18(24)22-15-20(9-5-6-10-20)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16,21H2,1H3,(H,22,24).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.29, 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-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 120773560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).