1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

C13H24N2O2 — CID 115270562

IUPAC1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC1(CN)CCCN1C(=O)CC1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(10-14)5-2-6-15(13)12(16)9-11-3-7-17-8-4-11/h11H,2-10,14H2,1H3
InChIKeyXDGBJSPQRZYXIX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds3

About 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 115270562) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID115270562
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCC1(CN)CCCN1C(=O)CC1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(10-14)5-2-6-15(13)12(16)9-11-3-7-17-8-4-11/h11H,2-10,14H2,1H3
InChIKeyXDGBJSPQRZYXIX-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 115270563
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 115270531
1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 115276226
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 115270742
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 115270557
1-[(2R)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 129351917
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 115266988
1-(4-tert-butylpiperazin-1-yl)-2-(oxan-4-yl)ethanone
CID 129268223

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (CID 115270562) is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is CC1(CN)CCCN1C(=O)CC1CCOCC1.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is XDGBJSPQRZYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(10-14)5-2-6-15(13)12(16)9-11-3-7-17-8-4-11/h11H,2-10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 115270562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).