1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone

C13H24N2O — CID 103576127

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
SMILESCC1CN(C(=O)CC2CCCCC2)CC1N
InChIInChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-11-5-3-2-4-6-11/h10-12H,2-9,14H2,1H3
InChIKeyPUIGUVZPINZRMX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds2

About 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone

1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone (PubChem CID 103576127) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
PubChem CID103576127
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
SMILESCC1CN(C(=O)CC2CCCCC2)CC1N
InChIInChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-11-5-3-2-4-6-11/h10-12H,2-9,14H2,1H3
InChIKeyPUIGUVZPINZRMX-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
CID 103575919
2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365
1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 156607312
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclopentylethanone
CID 102961260
2-(3-aminocyclohexyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 62776851
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
2-cyclohexyl-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethanone
CID 114506671
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone (CID 103576127) is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone is CC1CN(C(=O)CC2CCCCC2)CC1N.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone?
The InChIKey is PUIGUVZPINZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-11-5-3-2-4-6-11/h10-12H,2-9,14H2,1H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone?
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone is sourced from PubChem (CID 103576127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).