[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium

C12H20N2+2 — CID 163770538

IUPAC[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium
SMILES[NH3+]C(c1ccc[nH+]c1)C1CCCCC1
InChIInChI=1S/C12H18N2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,1-3,5-6,13H2/p+2
InChIKeyMGAMAQSNSVZIEY-UHFFFAOYSA-P
MW192.31 g/mol
LogP1.36
Rot. Bonds2

About [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium

[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium (PubChem CID 163770538) has the molecular formula C12H20N2+2 and a molecular weight of 192.31 g/mol. Its IUPAC name is [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium.

Molecular Properties

Compound Name[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium
PubChem CID163770538
Molecular FormulaC12H20N2+2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium
SMILES[NH3+]C(c1ccc[nH+]c1)C1CCCCC1
InChIInChI=1S/C12H18N2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,1-3,5-6,13H2/p+2
InChIKeyMGAMAQSNSVZIEY-UHFFFAOYSA-P
XLogP1.36
TPSA41.78 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclohexyl(phenyl)methanamine
CID 11064121
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
(2,2-dicyclohexyl-1-phenylethyl)phosphane
CID 91484013
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
[(1S,2R)-2-cyclohexyl-2-hydroxy-1-phenylethyl]-dimethylsulfanium iodide
CID 10691895
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium?
The IUPAC name of [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium (CID 163770538) is [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium.
What is the SMILES notation for [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium?
The canonical SMILES for [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium is [NH3+]C(c1ccc[nH+]c1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium?
The InChIKey is MGAMAQSNSVZIEY-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H18N2/c13-12(10-5-2-1-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,1-3,5-6,13H2/p+2.
What are the key properties of [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium?
[cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium has a molecular weight of 192.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(pyridin-1-ium-3-yl)methyl]azanium is sourced from PubChem (CID 163770538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).