(1S)-1-cyclohexyl-2-(dimethylamino)ethanol

C10H21NO — CID 14528559

IUPAC(1S)-1-cyclohexyl-2-(dimethylamino)ethanol
SMILESCN(C)C[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H21NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySTSLUCXUWPSEEI-SNVBAGLBSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About (1S)-1-cyclohexyl-2-(dimethylamino)ethanol

(1S)-1-cyclohexyl-2-(dimethylamino)ethanol (PubChem CID 14528559) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2-(dimethylamino)ethanol
PubChem CID14528559
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1S)-1-cyclohexyl-2-(dimethylamino)ethanol
SMILESCN(C)C[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H21NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySTSLUCXUWPSEEI-SNVBAGLBSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2-(dimethylamino)ethanol?
The IUPAC name of (1S)-1-cyclohexyl-2-(dimethylamino)ethanol (CID 14528559) is (1S)-1-cyclohexyl-2-(dimethylamino)ethanol.
What is the SMILES notation for (1S)-1-cyclohexyl-2-(dimethylamino)ethanol?
The canonical SMILES for (1S)-1-cyclohexyl-2-(dimethylamino)ethanol is CN(C)C[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-2-(dimethylamino)ethanol?
The InChIKey is STSLUCXUWPSEEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h9-10,12H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-2-(dimethylamino)ethanol?
(1S)-1-cyclohexyl-2-(dimethylamino)ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2-(dimethylamino)ethanol is sourced from PubChem (CID 14528559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).