2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride

C12H28ClN3O3 — CID 70382111

IUPAC2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride
SMILESCN(C)C1C(O)C(N(C)C)C(O)C(N(C)C)C1O.Cl
InChIInChI=1S/C12H27N3O3.ClH/c1-13(2)7-10(16)8(14(3)4)12(18)9(11(7)17)15(5)6;/h7-12,16-18H,1-6H3;1H
InChIKeyHUBZSODOMJVLME-UHFFFAOYSA-N
MW297.83 g/mol
LogP-1.70
Rot. Bonds3

About 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride

2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride (PubChem CID 70382111) has the molecular formula C12H28ClN3O3 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride.

Molecular Properties

Compound Name2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride
PubChem CID70382111
Molecular FormulaC12H28ClN3O3
Molecular Weight297.83 g/mol
Exact Mass297.18
IUPAC Name2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride
SMILESCN(C)C1C(O)C(N(C)C)C(O)C(N(C)C)C1O.Cl
InChIInChI=1S/C12H27N3O3.ClH/c1-13(2)7-10(16)8(14(3)4)12(18)9(11(7)17)15(5)6;/h7-12,16-18H,1-6H3;1H
InChIKeyHUBZSODOMJVLME-UHFFFAOYSA-N
XLogP-1.70
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride?
The IUPAC name of 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride (CID 70382111) is 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride.
What is the SMILES notation for 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride?
The canonical SMILES for 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride is CN(C)C1C(O)C(N(C)C)C(O)C(N(C)C)C1O.Cl.
What is the InChIKey of 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride?
The InChIKey is HUBZSODOMJVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3.ClH/c1-13(2)7-10(16)8(14(3)4)12(18)9(11(7)17)15(5)6;/h7-12,16-18H,1-6H3;1H.
What are the key properties of 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride?
2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of -1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(dimethylamino)cyclohexane-1,3,5-triol;hydrochloride is sourced from PubChem (CID 70382111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).