1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride

C13H25ClN2O2 — CID 120805402

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)CC2CCCCO2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(9-14)5-6-15(10-13)12(16)8-11-4-2-3-7-17-11;/h11H,2-10,14H2,1H3;1H
InChIKeyASJDQISEGPNEDB-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.56
Rot. Bonds3

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride (PubChem CID 120805402) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
PubChem CID120805402
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)CC2CCCCO2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(9-14)5-6-15(10-13)12(16)8-11-4-2-3-7-17-11;/h11H,2-10,14H2,1H3;1H
InChIKeyASJDQISEGPNEDB-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
(3S)-3-methyl-1-[2-[(2R)-oxolan-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124512423
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
3-ethyl-1-[2-(oxolan-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 65157138
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 114778309
2-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120806844
7-[2-(oxolan-2-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996141
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride (CID 120805402) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride is CC1(CN)CCN(C(=O)CC2CCCCO2)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride?
The InChIKey is ASJDQISEGPNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-13(9-14)5-6-15(10-13)12(16)8-11-4-2-3-7-17-11;/h11H,2-10,14H2,1H3;1H.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(oxan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 120805402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).