2-(azocan-1-yl)-1-cyclohexylethanone

C15H27NO — CID 104749887

IUPAC2-(azocan-1-yl)-1-cyclohexylethanone
SMILESO=C(CN1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c17-15(14-9-5-4-6-10-14)13-16-11-7-2-1-3-8-12-16/h14H,1-13H2
InChIKeyKYPBABXMCKWGTM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds3

About 2-(azocan-1-yl)-1-cyclohexylethanone

2-(azocan-1-yl)-1-cyclohexylethanone (PubChem CID 104749887) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-cyclohexylethanone
PubChem CID104749887
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(azocan-1-yl)-1-cyclohexylethanone
SMILESO=C(CN1CCCCCCC1)C1CCCCC1
InChIInChI=1S/C15H27NO/c17-15(14-9-5-4-6-10-14)13-16-11-7-2-1-3-8-12-16/h14H,1-13H2
InChIKeyKYPBABXMCKWGTM-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dimethylamino)-1-(4-fluorocyclohexyl)ethanone
CID 145817772
(1S,6R,8R)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 130753076
(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 131135580
1-Cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750088
1-Cyclohexyl-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750243
1-Cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750255
1-Cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
CID 104750881
1-Cyclohexyl-2-[2,2-difluoroethyl(methyl)amino]ethanone
CID 116315903
1-Methyl-2-(3-methylheptan-2-yl)azocan-3-one
CID 58732193
(3S)-4-cyclohexyl-3-(dimethylamino)butan-2-one
CID 59048267
4-[3-(Dimethylamino)propyl]cyclohexan-1-one
CID 68003939
1-Cyclohexyl-3-(diethylamino)propan-2-one
CID 70507258

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-cyclohexylethanone?
The IUPAC name of 2-(azocan-1-yl)-1-cyclohexylethanone (CID 104749887) is 2-(azocan-1-yl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(azocan-1-yl)-1-cyclohexylethanone?
The canonical SMILES for 2-(azocan-1-yl)-1-cyclohexylethanone is O=C(CN1CCCCCCC1)C1CCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-1-cyclohexylethanone?
The InChIKey is KYPBABXMCKWGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(14-9-5-4-6-10-14)13-16-11-7-2-1-3-8-12-16/h14H,1-13H2.
What are the key properties of 2-(azocan-1-yl)-1-cyclohexylethanone?
2-(azocan-1-yl)-1-cyclohexylethanone has a molecular weight of 237.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-cyclohexylethanone is sourced from PubChem (CID 104749887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).