[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone

C12H22N2O — CID 120806071

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC1(CN)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O/c1-12(8-13)6-7-14(9-12)11(15)10-4-2-3-5-10/h10H,2-9,13H2,1H3
InChIKeyJETCNXONPQPDQC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.37
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 120806071) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID120806071
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC1(CN)CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O/c1-12(8-13)6-7-14(9-12)11(15)10-4-2-3-5-10/h10H,2-9,13H2,1H3
InChIKeyJETCNXONPQPDQC-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 120808570
[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone;hydrochloride
CID 120807372
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 120809161
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 120805422
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 107159946
cyclopropyl-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]methanone
CID 145231630
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-[4-(azepane-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120772053

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone (CID 120806071) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone is CC1(CN)CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is JETCNXONPQPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(8-13)6-7-14(9-12)11(15)10-4-2-3-5-10/h10H,2-9,13H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 120806071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).