[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride

C6H16Cl2N2 — CID 11788705

IUPAC[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+][C@H]1CCCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6-;;/m0../s1
InChIKeyHEKOZXSZLOBKGM-USPAICOZSA-N
MW187.11 g/mol
LogP-7.21
Rot. Bonds

About [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride

[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride (PubChem CID 11788705) has the molecular formula C6H16Cl2N2 and a molecular weight of 187.11 g/mol. Its IUPAC name is [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride.

Molecular Properties

Compound Name[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
PubChem CID11788705
Molecular FormulaC6H16Cl2N2
Molecular Weight187.11 g/mol
Exact Mass186.07
IUPAC Name[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
SMILES[Cl-].[Cl-].[NH3+][C@H]1CCCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6-;;/m0../s1
InChIKeyHEKOZXSZLOBKGM-USPAICOZSA-N
XLogP-7.21
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-7.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride?
The IUPAC name of [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride (CID 11788705) is [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride.
What is the SMILES notation for [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride?
The canonical SMILES for [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride is [Cl-].[Cl-].[NH3+][C@H]1CCCC[C@@H]1[NH3+].
What is the InChIKey of [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride?
The InChIKey is HEKOZXSZLOBKGM-USPAICOZSA-N. The full InChI is InChI=1S/C6H14N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6-;;/m0../s1.
What are the key properties of [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride?
[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride has a molecular weight of 187.11 g/mol, XLogP of -7.21, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride is sourced from PubChem (CID 11788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).