2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol

C10H17NO — CID 89352613

IUPAC2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol
SMILESCCN(CCO)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-6,10,12H,2,7-9H2,1H3
InChIKeyFNXACKGPFDFJHH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.19
Rot. Bonds4

About 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol

2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol (PubChem CID 89352613) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol
PubChem CID89352613
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol
SMILESCCN(CCO)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-6,10,12H,2,7-9H2,1H3
InChIKeyFNXACKGPFDFJHH-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol?
The IUPAC name of 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol (CID 89352613) is 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol?
The canonical SMILES for 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol is CCN(CCO)C1C=CC=CC1.
What is the InChIKey of 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol?
The InChIKey is FNXACKGPFDFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-6,10,12H,2,7-9H2,1H3.
What are the key properties of 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol?
2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol is sourced from PubChem (CID 89352613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).