3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride

C13H25ClN2O — CID 119288477

IUPAC3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-8-13(16)15-10-4-7-12(15)11-5-2-1-3-6-11;/h11-12H,1-10,14H2;1H
InChIKeyIXBBZPSXWOTGHK-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride

3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 119288477) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID119288477
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C13H24N2O.ClH/c14-9-8-13(16)15-10-4-7-12(15)11-5-2-1-3-6-11;/h11-12H,1-10,14H2;1H
InChIKeyIXBBZPSXWOTGHK-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-aminobutan-1-one
CID 81433954
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopentan-1-one
CID 82746635
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-aminopentan-1-one;hydrochloride
CID 120559170
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-[(5aS,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-3-aminopropan-1-one
CID 129496768
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(3-aminopropyl)-3-oxopropanamide
CID 170722986
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-chloropentan-1-one
CID 65319414

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 119288477) is 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride is Cl.NCCC(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is IXBBZPSXWOTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-9-8-13(16)15-10-4-7-12(15)11-5-2-1-3-6-11;/h11-12H,1-10,14H2;1H.
What are the key properties of 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride?
3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-cyclohexylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119288477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).