3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol

C12H26N2O4 — CID 20589297

IUPAC3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol
SMILESCC1(N)C(C)(O)C(C)(O)C(C)(N)C(C)(O)C1(C)O
InChIInChI=1S/C12H26N2O4/c1-7(13)9(3,15)11(5,17)8(2,14)12(6,18)10(7,4)16/h15-18H,13-14H2,1-6H3
InChIKeyWFDSLCOLHSXHPM-UHFFFAOYSA-N
MW262.35 g/mol
LogP-1.56
Rot. Bonds

About 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol

3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol (PubChem CID 20589297) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol
PubChem CID20589297
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol
SMILESCC1(N)C(C)(O)C(C)(O)C(C)(N)C(C)(O)C1(C)O
InChIInChI=1S/C12H26N2O4/c1-7(13)9(3,15)11(5,17)8(2,14)12(6,18)10(7,4)16/h15-18H,13-14H2,1-6H3
InChIKeyWFDSLCOLHSXHPM-UHFFFAOYSA-N
XLogP-1.56
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 5-1.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol?
The IUPAC name of 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol (CID 20589297) is 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol.
What is the SMILES notation for 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol?
The canonical SMILES for 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol is CC1(N)C(C)(O)C(C)(O)C(C)(N)C(C)(O)C1(C)O.
What is the InChIKey of 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol?
The InChIKey is WFDSLCOLHSXHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-7(13)9(3,15)11(5,17)8(2,14)12(6,18)10(7,4)16/h15-18H,13-14H2,1-6H3.
What are the key properties of 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol?
3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol has a molecular weight of 262.35 g/mol, XLogP of -1.56, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-1,2,3,4,5,6-hexamethylcyclohexane-1,2,4,5-tetrol is sourced from PubChem (CID 20589297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).