(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol

C16H34N2O4 — CID 157254014

IUPAC(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
SMILESCN(C)C1CCCC(O)C1O.CN(C)C1CCCC(O)[C@@H]1O
InChIInChI=1S/2C8H17NO2/c2*1-9(2)6-4-3-5-7(10)8(6)11/h2*6-8,10-11H,3-5H2,1-2H3/t6?,7?,8-;/m1./s1
InChIKeyAWRCQFAXTYOUFQ-XJRLSETOSA-N
MW318.46 g/mol
LogP-0.36
Rot. Bonds2

About (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol

(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol (PubChem CID 157254014) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
PubChem CID157254014
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Name(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
SMILESCN(C)C1CCCC(O)C1O.CN(C)C1CCCC(O)[C@@H]1O
InChIInChI=1S/2C8H17NO2/c2*1-9(2)6-4-3-5-7(10)8(6)11/h2*6-8,10-11H,3-5H2,1-2H3/t6?,7?,8-;/m1./s1
InChIKeyAWRCQFAXTYOUFQ-XJRLSETOSA-N
XLogP-0.36
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-but-2-enedioic acid;trans-(1S,2S)-2-(dimethylamino)cyclopentan-1-ol
CID 70589053
trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
CID 102734871
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
CID 93317461
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
CID 58431838
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
2-[methyl(3-methylbutan-2-yl)amino]cyclopentan-1-ol
CID 60885120
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol?
The IUPAC name of (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol (CID 157254014) is (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol.
What is the SMILES notation for (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol?
The canonical SMILES for (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol is CN(C)C1CCCC(O)C1O.CN(C)C1CCCC(O)[C@@H]1O.
What is the InChIKey of (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol?
The InChIKey is AWRCQFAXTYOUFQ-XJRLSETOSA-N. The full InChI is InChI=1S/2C8H17NO2/c2*1-9(2)6-4-3-5-7(10)8(6)11/h2*6-8,10-11H,3-5H2,1-2H3/t6?,7?,8-;/m1./s1.
What are the key properties of (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol?
(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol has a molecular weight of 318.46 g/mol, XLogP of -0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 157254014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).