2-(cyclohexa-1,5-dien-1-ylamino)ethanol

C8H13NO — CID 21477241

IUPAC2-(cyclohexa-1,5-dien-1-ylamino)ethanol
SMILESOCCNC1=CCCC=C1
InChIInChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h2,4-5,9-10H,1,3,6-7H2
InChIKeyZLLNPECRDRAUPZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylamino)ethanol

2-(cyclohexa-1,5-dien-1-ylamino)ethanol (PubChem CID 21477241) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylamino)ethanol.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylamino)ethanol
PubChem CID21477241
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(cyclohexa-1,5-dien-1-ylamino)ethanol
SMILESOCCNC1=CCCC=C1
InChIInChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h2,4-5,9-10H,1,3,6-7H2
InChIKeyZLLNPECRDRAUPZ-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)ethanol?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)ethanol (CID 21477241) is 2-(cyclohexa-1,5-dien-1-ylamino)ethanol.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylamino)ethanol?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylamino)ethanol is OCCNC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylamino)ethanol?
The InChIKey is ZLLNPECRDRAUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-6-9-8-4-2-1-3-5-8/h2,4-5,9-10H,1,3,6-7H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylamino)ethanol?
2-(cyclohexa-1,5-dien-1-ylamino)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylamino)ethanol is sourced from PubChem (CID 21477241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).