2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone

C12H22N2O — CID 82508182

IUPAC2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
SMILESNCC1(CC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C12H22N2O/c13-10-12(5-1-2-6-12)9-11(15)14-7-3-4-8-14/h1-10,13H2
InChIKeyMDOSTISSXYEXCD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone

2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone (PubChem CID 82508182) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
PubChem CID82508182
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
SMILESNCC1(CC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C12H22N2O/c13-10-12(5-1-2-6-12)9-11(15)14-7-3-4-8-14/h1-10,13H2
InChIKeyMDOSTISSXYEXCD-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
2-[1-(aminomethyl)cyclohexyl]-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 104844472
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperazine-1-sulfonamide
CID 104677903
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
CID 81172470
2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-[1-(aminomethyl)cyclobutyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 107219405
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone (CID 82508182) is 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone is NCC1(CC(=O)N2CCCC2)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MDOSTISSXYEXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-10-12(5-1-2-6-12)9-11(15)14-7-3-4-8-14/h1-10,13H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone?
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82508182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).