1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride

C12H23ClN2O — CID 119788314

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CC2CCCC2C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2,8-13)11(15)14-6-9-4-3-5-10(9)7-14;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyXFKDYUYNMQYBOV-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.65
Rot. Bonds2

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 119788314) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID119788314
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CC2CCCC2C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2,8-13)11(15)14-6-9-4-3-5-10(9)7-14;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyXFKDYUYNMQYBOV-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 81489730
3-amino-2,2-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536811
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2-dimethyl-3-oxopropanethioamide
CID 115559909
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-chloro-2,2-dimethylpropan-1-one
CID 63680540
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-propylpentanethioamide
CID 115559919

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride (CID 119788314) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(CN)C(=O)N1CC2CCCC2C1.Cl.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is XFKDYUYNMQYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-12(2,8-13)11(15)14-6-9-4-3-5-10(9)7-14;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 119788314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).