2-amino-2-cyclohexa-1,3-dien-1-ylethanol

C8H13NO — CID 58695465

IUPAC2-amino-2-cyclohexa-1,3-dien-1-ylethanol
SMILESNC(CO)C1=CC=CCC1
InChIInChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,4,8,10H,3,5-6,9H2
InChIKeyIQJUSARUJKNYSZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-2-cyclohexa-1,3-dien-1-ylethanol

2-amino-2-cyclohexa-1,3-dien-1-ylethanol (PubChem CID 58695465) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-amino-2-cyclohexa-1,3-dien-1-ylethanol.

Molecular Properties

Compound Name2-amino-2-cyclohexa-1,3-dien-1-ylethanol
PubChem CID58695465
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-amino-2-cyclohexa-1,3-dien-1-ylethanol
SMILESNC(CO)C1=CC=CCC1
InChIInChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,4,8,10H,3,5-6,9H2
InChIKeyIQJUSARUJKNYSZ-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-(cyclohex-3-en-1-yl)ethan-1-ol
CID 61056225
2-Amino-3-(6-fluorocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 145561468
3-Amino-3-(2,5-difluorocyclohexa-1,3-dien-1-yl)propan-1-ol
CID 155323766
(2S)-2-amino-2-(3-fluorocyclohexa-1,3-dien-1-yl)ethanol
CID 163870789
(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68063874
2-Amino-3-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 68092708
(2R)-2-amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 68177021
2,6-Diamino-5-methylidene-4-prop-2-enylcyclohexa-1,3-dien-1-ol
CID 70609987
2-Amino-2-cyclohexa-1,5-dien-1-ylethanol
CID 77417632
(3E)-2-amino-3-[(2Z)-penta-2,4-dienylidene]cyclopentan-1-ol
CID 88906958
2-Amino-3-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 88988439
3-(4-Aminocyclohexa-1,5-dien-1-yl)propan-1-ol
CID 89195748

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexa-1,3-dien-1-ylethanol?
The IUPAC name of 2-amino-2-cyclohexa-1,3-dien-1-ylethanol (CID 58695465) is 2-amino-2-cyclohexa-1,3-dien-1-ylethanol.
What is the SMILES notation for 2-amino-2-cyclohexa-1,3-dien-1-ylethanol?
The canonical SMILES for 2-amino-2-cyclohexa-1,3-dien-1-ylethanol is NC(CO)C1=CC=CCC1.
What is the InChIKey of 2-amino-2-cyclohexa-1,3-dien-1-ylethanol?
The InChIKey is IQJUSARUJKNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(6-10)7-4-2-1-3-5-7/h1-2,4,8,10H,3,5-6,9H2.
What are the key properties of 2-amino-2-cyclohexa-1,3-dien-1-ylethanol?
2-amino-2-cyclohexa-1,3-dien-1-ylethanol has a molecular weight of 139.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexa-1,3-dien-1-ylethanol is sourced from PubChem (CID 58695465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).