2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol

C8H13NO — CID 123422914

IUPAC2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC1C=CC=CC1CCO
InChIInChI=1S/C8H13NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyPHFRIMVXWNYRQX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds2

About 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol

2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 123422914) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol
PubChem CID123422914
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol
SMILESNC1C=CC=CC1CCO
InChIInChI=1S/C8H13NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,7-8,10H,5-6,9H2
InChIKeyPHFRIMVXWNYRQX-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,4S)-4-Aminocyclopent-2-en-1-yl]methanol
CID 9934457
(1S,4R)-4-amino-2-cyclopentene-1-methanol
CID 9793729
(4-Aminocyclopent-2-en-1-yl)methanol
CID 10313113
(2S)-2-amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 89219682
2-Amino-2-(4-fluorocyclohexa-2,4-dien-1-yl)ethanol
CID 123802805
(4E,6E)-2-amino-4-ethenyl-7-fluoro-3-methylocta-4,6-dien-1-ol
CID 142806656
2-[3-(1-Aminoethyl)cyclohexa-2,4-dien-1-yl]-2,2-difluoroethanol
CID 166734917
[(1R,2S)-2-aminocyclopent-3-en-1-yl]methanol
CID 12081657
(2-Aminocyclopent-3-en-1-yl)methanol
CID 85433880
Rel-((1S,6S)-6-aminocyclohex-3-en-1-yl)methanol
CID 7157088
((1S,4S)-4-Aminocyclopent-2-en-1-yl)methanol
CID 9793730
((1R,4R)-4-Aminocyclopent-2-en-1-yl)methanol
CID 10197658

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol (CID 123422914) is 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol is NC1C=CC=CC1CCO.
What is the InChIKey of 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is PHFRIMVXWNYRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol?
2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminocyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 123422914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).