(2S)-2-cyclohexyl-2-(diethylamino)ethanol

C12H25NO — CID 134969142

IUPAC(2S)-2-cyclohexyl-2-(diethylamino)ethanol
SMILESCCN(CC)[C@H](CO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyPWSGUIIRUAZUNK-GFCCVEGCSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-cyclohexyl-2-(diethylamino)ethanol

(2S)-2-cyclohexyl-2-(diethylamino)ethanol (PubChem CID 134969142) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-(diethylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-(diethylamino)ethanol
PubChem CID134969142
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-2-cyclohexyl-2-(diethylamino)ethanol
SMILESCCN(CC)[C@H](CO)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyPWSGUIIRUAZUNK-GFCCVEGCSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-(diethylamino)ethanol?
The IUPAC name of (2S)-2-cyclohexyl-2-(diethylamino)ethanol (CID 134969142) is (2S)-2-cyclohexyl-2-(diethylamino)ethanol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-(diethylamino)ethanol?
The canonical SMILES for (2S)-2-cyclohexyl-2-(diethylamino)ethanol is CCN(CC)[C@H](CO)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-(diethylamino)ethanol?
The InChIKey is PWSGUIIRUAZUNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-13(4-2)12(10-14)11-8-6-5-7-9-11/h11-12,14H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-(diethylamino)ethanol?
(2S)-2-cyclohexyl-2-(diethylamino)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-(diethylamino)ethanol is sourced from PubChem (CID 134969142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).