[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone

C12H22N2O — CID 115270531

IUPAC[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC1(CN)CCCN1C(=O)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-12(9-13)7-4-8-14(12)11(15)10-5-2-3-6-10/h10H,2-9,13H2,1H3
InChIKeyMGYBLNICKFQQRQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds2

About [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone (PubChem CID 115270531) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
PubChem CID115270531
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
SMILESCC1(CN)CCCN1C(=O)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-12(9-13)7-4-8-14(12)11(15)10-5-2-3-6-10/h10H,2-9,13H2,1H3
InChIKeyMGYBLNICKFQQRQ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 115270742
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 115270563
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 115270562
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone
CID 167927925
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
cyclopropyl-(2-methyl-2-propan-2-ylpyrrolidin-1-yl)methanone
CID 118284715
(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 100671287
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone (CID 115270531) is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone is CC1(CN)CCCN1C(=O)C1CCCC1.
What is the InChIKey of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone?
The InChIKey is MGYBLNICKFQQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(9-13)7-4-8-14(12)11(15)10-5-2-3-6-10/h10H,2-9,13H2,1H3.
What are the key properties of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone?
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 115270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).