2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone

C12H22N2O — CID 60946954

IUPAC2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-9-12(15)14-8-4-7-11(14)10-5-2-1-3-6-10/h10-11H,1-9,13H2
InChIKeyPTFIIIOFYDEAPJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone

2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone (PubChem CID 60946954) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
PubChem CID60946954
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
SMILESNCC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C12H22N2O/c13-9-12(15)14-8-4-7-11(14)10-5-2-1-3-6-10/h10-11H,1-9,13H2
InChIKeyPTFIIIOFYDEAPJ-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

3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119288477
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-aminobutan-1-one
CID 60837184
1-[(5aR,8aS)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminoethanone
CID 129499918
2-(4-aminopiperidin-1-yl)-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 79327730
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chlorobutan-1-one
CID 63309531
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-aminobutan-1-one
CID 81433954
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(3-aminopropyl)-3-oxopropanamide
CID 170722986

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone (CID 60946954) is 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone is NCC(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone?
The InChIKey is PTFIIIOFYDEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-9-12(15)14-8-4-7-11(14)10-5-2-1-3-6-10/h10-11H,1-9,13H2.
What are the key properties of 2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone?
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone 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-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 60946954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).