2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

C12H23N3O — CID 102784643

IUPAC2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)C1CN
InChIInChI=1S/C12H23N3O/c1-10-4-7-15(11(10)8-13)9-12(16)14-5-2-3-6-14/h10-11H,2-9,13H2,1H3
InChIKeyUJJVDENREOUJHR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds3

About 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 102784643) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID102784643
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC1CCN(CC(=O)N2CCCC2)C1CN
InChIInChI=1S/C12H23N3O/c1-10-4-7-15(11(10)8-13)9-12(16)14-5-2-3-6-14/h10-11H,2-9,13H2,1H3
InChIKeyUJJVDENREOUJHR-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone 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-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119925999
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 102785072
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 102784643) is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is CC1CCN(CC(=O)N2CCCC2)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UJJVDENREOUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-4-7-15(11(10)8-13)9-12(16)14-5-2-3-6-14/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 102784643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).