2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol

C10H17NO — CID 89198757

IUPAC2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol
SMILESCCN(CCO)C1=CC=CCC1
InChIInChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-4,6,12H,2,5,7-9H2,1H3
InChIKeyDBEIUWAGDIVUMP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.53
Rot. Bonds4

About 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol

2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol (PubChem CID 89198757) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol
PubChem CID89198757
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol
SMILESCCN(CCO)C1=CC=CCC1
InChIInChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-4,6,12H,2,5,7-9H2,1H3
InChIKeyDBEIUWAGDIVUMP-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167138306
1-[Cyclohexen-1-yl(methyl)amino]ethanol
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2-(Cyclohexa-1,3-dien-1-ylamino)ethanol
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2-[Cyclohexen-1-yl(methyl)amino]ethanol
CID 54089646
2-(2,3,4,8-Tetrahydro-1-benzazepin-1-yl)ethanol
CID 70013324
2-[Cyclohexa-1,5-dien-1-ylmethyl(ethyl)amino]ethanol
CID 70337068
2-[Ethyl(octa-4,7-dienyl)amino]ethanol
CID 87095556
2-[Methyl(octa-3,5-dienyl)amino]ethanol
CID 87095585
2-[Ethyl(octa-3,5-dienyl)amino]ethanol
CID 87095699
1-[methyl-[(4E,6E)-octa-4,6-dienyl]amino]ethanol
CID 87095725
2-[Methyl(octa-4,6-dienyl)amino]ethanol
CID 87095726
2-[Methyl(octa-4,7-dienyl)amino]ethanol
CID 87095803

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol?
The IUPAC name of 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol (CID 89198757) is 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol is CCN(CCO)C1=CC=CCC1.
What is the InChIKey of 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol?
The InChIKey is DBEIUWAGDIVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-4,6,12H,2,5,7-9H2,1H3.
What are the key properties of 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol?
2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol is sourced from PubChem (CID 89198757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).