cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol

C17H40N2O3 — CID 159294837

IUPACcyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCCN(CC)CC.CN(CCO)CCO.OC1CCCCC1
InChIInChI=1S/C6H15N.C6H12O.C5H13NO2/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;1-6(2-4-7)3-5-8/h4-6H2,1-3H3;6-7H,1-5H2;7-8H,2-5H2,1H3
InChIKeyLAOSTKIQSXACGW-UHFFFAOYSA-N
MW320.52 g/mol
LogP1.56
Rot. Bonds7

About cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol

cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 159294837) has the molecular formula C17H40N2O3 and a molecular weight of 320.52 g/mol. Its IUPAC name is cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Namecyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID159294837
Molecular FormulaC17H40N2O3
Molecular Weight320.52 g/mol
Exact Mass320.30
IUPAC Namecyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCCN(CC)CC.CN(CCO)CCO.OC1CCCCC1
InChIInChI=1S/C6H15N.C6H12O.C5H13NO2/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;1-6(2-4-7)3-5-8/h4-6H2,1-3H3;6-7H,1-5H2;7-8H,2-5H2,1H3
InChIKeyLAOSTKIQSXACGW-UHFFFAOYSA-N
XLogP1.56
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 159294837) is cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol is CCN(CC)CC.CN(CCO)CCO.OC1CCCCC1.
What is the InChIKey of cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is LAOSTKIQSXACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C6H12O.C5H13NO2/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;1-6(2-4-7)3-5-8/h4-6H2,1-3H3;6-7H,1-5H2;7-8H,2-5H2,1H3.
What are the key properties of cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 320.52 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 159294837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).