1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol

C11H19NO — CID 143658544

IUPAC1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
SMILESCCN(C)CC(O)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-11(13)10-7-5-4-6-8-10/h5,7-8,11,13H,3-4,6,9H2,1-2H3
InChIKeySDEQUOJPOMINCZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol

1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol (PubChem CID 143658544) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
PubChem CID143658544
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol
SMILESCCN(C)CC(O)C1=CCCC=C1
InChIInChI=1S/C11H19NO/c1-3-12(2)9-11(13)10-7-5-4-6-8-10/h5,7-8,11,13H,3-4,6,9H2,1-2H3
InChIKeySDEQUOJPOMINCZ-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol (CID 143658544) is 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol is CCN(C)CC(O)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol?
The InChIKey is SDEQUOJPOMINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12(2)9-11(13)10-7-5-4-6-8-10/h5,7-8,11,13H,3-4,6,9H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol?
1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-[ethyl(methyl)amino]ethanol is sourced from PubChem (CID 143658544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).