(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol

C8H17NO2 — CID 134491150

IUPAC(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol
SMILESCN(C)[C@@H]1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H17NO2/c1-9(2)6-3-4-7(10)8(11)5-6/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyOMWOZMVYFRCQOH-PRJMDXOYSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds1

About (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol

(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol (PubChem CID 134491150) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol
PubChem CID134491150
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol
SMILESCN(C)[C@@H]1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H17NO2/c1-9(2)6-3-4-7(10)8(11)5-6/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyOMWOZMVYFRCQOH-PRJMDXOYSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol?
The IUPAC name of (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol (CID 134491150) is (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol.
What is the SMILES notation for (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol?
The canonical SMILES for (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol is CN(C)[C@@H]1CC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol?
The InChIKey is OMWOZMVYFRCQOH-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)6-3-4-7(10)8(11)5-6/h6-8,10-11H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol?
(1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-(dimethylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 134491150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).