cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol

C10H21NO — CID 92982669

IUPACcis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol
SMILESCCN(CC)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H21NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyDAWVZTZTFCFKJZ-ZJUUUORDSA-N
MW171.28 g/mol
LogP1.63
Rot. Bonds3

About cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol

cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol (PubChem CID 92982669) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol
PubChem CID92982669
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namecis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol
SMILESCCN(CC)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H21NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyDAWVZTZTFCFKJZ-ZJUUUORDSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol (CID 92982669) is cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol is CCN(CC)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol?
The InChIKey is DAWVZTZTFCFKJZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-11(4-2)9-7-5-6-8-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol?
cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(diethylamino)cyclohexan-1-ol is sourced from PubChem (CID 92982669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).