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

C6H16N2O+2 — CID 23250054

IUPAC[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium
SMILES[NH3+][C@H]1[C@H](O)CCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/p+2/t4-,5+,6+/m0/s1
InChIKeyYDEUDTWDFHWNQN-KVQBGUIXSA-P
MW132.21 g/mol
LogP-2.25
Rot. Bonds

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

[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium (PubChem CID 23250054) has the molecular formula C6H16N2O+2 and a molecular weight of 132.21 g/mol. Its IUPAC name is [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium
PubChem CID23250054
Molecular FormulaC6H16N2O+2
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium
SMILES[NH3+][C@H]1[C@H](O)CCC[C@@H]1[NH3+]
InChIInChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/p+2/t4-,5+,6+/m0/s1
InChIKeyYDEUDTWDFHWNQN-KVQBGUIXSA-P
XLogP-2.25
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium?
The IUPAC name of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium (CID 23250054) is [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium.
What is the SMILES notation for [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium?
The canonical SMILES for [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium is [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?
The InChIKey is YDEUDTWDFHWNQN-KVQBGUIXSA-P. The full InChI is InChI=1S/C6H14N2O/c7-4-2-1-3-5(9)6(4)8/h4-6,9H,1-3,7-8H2/p+2/t4-,5+,6+/m0/s1.
What are the key properties of [(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium?
[(1S,2R,3R)-2-azaniumyl-3-hydroxycyclohexyl]azanium has a molecular weight of 132.21 g/mol, XLogP of -2.25, 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 is sourced from PubChem (CID 23250054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).