1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one

C16H30N2O — CID 115880311

IUPAC1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
SMILESCC(NC1CCC(C)(C)C1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13(17-14-8-9-16(2,3)12-14)15(19)18-10-6-4-5-7-11-18/h13-14,17H,4-12H2,1-3H3
InChIKeyZMUUDJXCCQGFDF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds3

About 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one

1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one (PubChem CID 115880311) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
PubChem CID115880311
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
SMILESCC(NC1CCC(C)(C)C1)C(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13(17-14-8-9-16(2,3)12-14)15(19)18-10-6-4-5-7-11-18/h13-14,17H,4-12H2,1-3H3
InChIKeyZMUUDJXCCQGFDF-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-diethylazepan-1-yl)-2-oxoethyl]acetamide
CID 91651493
2-(4,4-dimethylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 99811254
2-[(2,2-dimethylcyclopentyl)amino]-N-methyl-N-propan-2-ylpropanamide
CID 102562972
2-[(3,3-dimethylcyclopentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115880301
5,5-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590014
6,6-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590107
5,5-Dimethyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one
CID 22984597
6,6-Dimethyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one
CID 22984599
1-[2-(Dimethylamino)ethyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984695
1-[2-(Dimethylamino)ethyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984697
1-(2-Bicyclo[3.1.0]hexanyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984734
1-(2-Bicyclo[3.1.0]hexanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984736

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one (CID 115880311) is 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one is CC(NC1CCC(C)(C)C1)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one?
The InChIKey is ZMUUDJXCCQGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(17-14-8-9-16(2,3)12-14)15(19)18-10-6-4-5-7-11-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one?
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one is sourced from PubChem (CID 115880311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).