2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone

C12H23N3O — CID 61442365

IUPAC2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CCCC1N
InChIInChI=1S/C12H23N3O/c1-14(11-6-4-5-10(11)13)9-12(16)15-7-2-3-8-15/h10-11H,2-9,13H2,1H3
InChIKeyBMQNAARBLHZVDG-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds3

About 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 61442365) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID61442365
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CCCC1N
InChIInChI=1S/C12H23N3O/c1-14(11-6-4-5-10(11)13)9-12(16)15-7-2-3-8-15/h10-11H,2-9,13H2,1H3
InChIKeyBMQNAARBLHZVDG-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)cyclopentyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438780
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 64823213
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 61442365) is 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)C1CCCC1N.
What is the InChIKey of 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is BMQNAARBLHZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(11-6-4-5-10(11)13)9-12(16)15-7-2-3-8-15/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).