3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride

C6H14Cl2N2OPt — CID 3081667

IUPAC3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride
SMILESNC1CCC(O)CC1N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H14N2O.2ClH.Pt/c7-5-2-1-4(9)3-6(5)8;;;/h4-6,9H,1-3,7-8H2;2*1H;/q;;;+2/p-2
InChIKeyXHRRXEIHBNWKKZ-UHFFFAOYSA-L
MW396.18 g/mol
LogP-6.81
Rot. Bonds

About 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride

3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride (PubChem CID 3081667) has the molecular formula C6H14Cl2N2OPt and a molecular weight of 396.18 g/mol. Its IUPAC name is 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride.

Molecular Properties

Compound Name3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride
PubChem CID3081667
Molecular FormulaC6H14Cl2N2OPt
Molecular Weight396.18 g/mol
Exact Mass395.01
IUPAC Name3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride
SMILESNC1CCC(O)CC1N.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C6H14N2O.2ClH.Pt/c7-5-2-1-4(9)3-6(5)8;;;/h4-6,9H,1-3,7-8H2;2*1H;/q;;;+2/p-2
InChIKeyXHRRXEIHBNWKKZ-UHFFFAOYSA-L
XLogP-6.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 5-6.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride?
The IUPAC name of 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride (CID 3081667) is 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride.
What is the SMILES notation for 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride?
The canonical SMILES for 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride is NC1CCC(O)CC1N.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride?
The InChIKey is XHRRXEIHBNWKKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N2O.2ClH.Pt/c7-5-2-1-4(9)3-6(5)8;;;/h4-6,9H,1-3,7-8H2;2*1H;/q;;;+2/p-2.
What are the key properties of 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride?
3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride has a molecular weight of 396.18 g/mol, XLogP of -6.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminocyclohexan-1-ol;platinum(2+);dichloride is sourced from PubChem (CID 3081667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).