6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one

C17H27N3O — CID 65290350

IUPAC6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H27N3O/c1-17(2,9-10-18)8-7-16(21)20-12-4-6-15(20)14-5-3-11-19-13-14/h3,5,11,13,15H,4,6-10,12,18H2,1-2H3
InChIKeyLMQMBQHDNDDJOE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.90
Rot. Bonds6

About 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one

6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one (PubChem CID 65290350) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
PubChem CID65290350
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C17H27N3O/c1-17(2,9-10-18)8-7-16(21)20-12-4-6-15(20)14-5-3-11-19-13-14/h3,5,11,13,15H,4,6-10,12,18H2,1-2H3
InChIKeyLMQMBQHDNDDJOE-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
CID 154735172

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one (CID 65290350) is 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one is CC(C)(CCN)CCC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
The InChIKey is LMQMBQHDNDDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,9-10-18)8-7-16(21)20-12-4-6-15(20)14-5-3-11-19-13-14/h3,5,11,13,15H,4,6-10,12,18H2,1-2H3.
What are the key properties of 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one?
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 65290350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).