[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium

C12H22NO+ — CID 6945981

IUPAC[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium
SMILES[NH3+]C1([C@@H]2CCCCC2=O)CCCCC1
InChIInChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2/p+1/t10-/m1/s1
InChIKeyBIZJPDCHNWABJF-SNVBAGLBSA-O
MW196.31 g/mol
LogP1.69
Rot. Bonds1

About [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium

[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium (PubChem CID 6945981) has the molecular formula C12H22NO+ and a molecular weight of 196.31 g/mol. Its IUPAC name is [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium.

Molecular Properties

Compound Name[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium
PubChem CID6945981
Molecular FormulaC12H22NO+
Molecular Weight196.31 g/mol
Exact Mass196.17
IUPAC Name[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium
SMILES[NH3+]C1([C@@H]2CCCCC2=O)CCCCC1
InChIInChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2/p+1/t10-/m1/s1
InChIKeyBIZJPDCHNWABJF-SNVBAGLBSA-O
XLogP1.69
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminocyclohexyl)cyclohexan-1-one
CID 2771860
(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
CID 124723974
(2S)-2-[(1S,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
CID 6545665
8a-hydroxy-1,2,3,3a,5,6,7,8-octahydroazulen-4-one
CID 10773424
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
(2R)-2-(1-ethylsulfanylcyclohexyl)cyclohexan-1-one
CID 139078634
4a-ethenyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 102592779
2-octyl-2-(2-oxocycloheptyl)cycloheptan-1-one
CID 70469533
2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
CID 79429302
3-methyl-3-(2-oxocyclohexyl)cyclohexan-1-one
CID 100969318
2-(silinan-1-yl)cyclohexan-1-one
CID 123797442
2-hydroxycycloundecan-1-one
CID 12608300

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium?
The IUPAC name of [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium (CID 6945981) is [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium.
What is the SMILES notation for [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium?
The canonical SMILES for [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium is [NH3+]C1([C@@H]2CCCCC2=O)CCCCC1.
What is the InChIKey of [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium?
The InChIKey is BIZJPDCHNWABJF-SNVBAGLBSA-O. The full InChI is InChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2/p+1/t10-/m1/s1.
What are the key properties of [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium?
[1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium has a molecular weight of 196.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-2-oxocyclohexyl]cyclohexyl]azanium is sourced from PubChem (CID 6945981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).