2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone

C10H19N3O — CID 82505741

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
SMILESNCC1CCCN1CC(=O)N1CCC1
InChIInChI=1S/C10H19N3O/c11-7-9-3-1-4-13(9)8-10(14)12-5-2-6-12/h9H,1-8,11H2
InChIKeyNYPUWAWBAACWFE-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.36
Rot. Bonds3

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone

2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone (PubChem CID 82505741) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
PubChem CID82505741
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
SMILESNCC1CCCN1CC(=O)N1CCC1
InChIInChI=1S/C10H19N3O/c11-7-9-3-1-4-13(9)8-10(14)12-5-2-6-12/h9H,1-8,11H2
InChIKeyNYPUWAWBAACWFE-UHFFFAOYSA-N
XLogP-0.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone (CID 82505741) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone is NCC1CCCN1CC(=O)N1CCC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone?
The InChIKey is NYPUWAWBAACWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-7-9-3-1-4-13(9)8-10(14)12-5-2-6-12/h9H,1-8,11H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone?
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone is sourced from PubChem (CID 82505741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).