[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride

C6H16Cl2N2O — CID 11816534

IUPAC[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+][C@H]1[C@H](O)CCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2O.2ClH/c7-4-2-1-3-5(9)6(4)8;;/h4-6,9H,1-3,7-8H2;2*1H/t4-,5+,6+;;/m0../s1
InChIKeyPZCCLURFNZLXLF-FVALZTRZSA-N
MW203.11 g/mol
LogP-8.24
Rot. Bonds

About [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride

[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride (PubChem CID 11816534) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride.

Molecular Properties

Compound Name[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride
PubChem CID11816534
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC Name[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+][C@H]1[C@H](O)CCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2O.2ClH/c7-4-2-1-3-5(9)6(4)8;;/h4-6,9H,1-3,7-8H2;2*1H/t4-,5+,6+;;/m0../s1
InChIKeyPZCCLURFNZLXLF-FVALZTRZSA-N
XLogP-8.24
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 5-8.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium
CID 23250054
[(1S,2R)-2-hydroxycyclopentyl]azanium
CID 40503077
[(2R,5R)-2,5-dihydroxycyclopentyl]azanium chloride
CID 11768777
[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
CID 11788705
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
[(1R,2S)-2-hydroxycyclopentyl] hypoiodite
CID 167184833
cyclobutanol;cyclopropanol
CID 175019048
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride?
The IUPAC name of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride (CID 11816534) is [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride.
What is the SMILES notation for [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride?
The canonical SMILES for [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride is [Cl-].[Cl-].[NH3+][C@H]1[C@H](O)CCC[C@@H]1[NH3+].
What is the InChIKey of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride?
The InChIKey is PZCCLURFNZLXLF-FVALZTRZSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c7-4-2-1-3-5(9)6(4)8;;/h4-6,9H,1-3,7-8H2;2*1H/t4-,5+,6+;;/m0../s1.
What are the key properties of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride?
[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride has a molecular weight of 203.11 g/mol, XLogP of -8.24, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium dichloride is sourced from PubChem (CID 11816534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).