6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol

C8H13NO2 — CID 67031714

IUPAC6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCOCC1(N)C=CC=CC1O
InChIInChI=1S/C8H13NO2/c1-11-6-8(9)5-3-2-4-7(8)10/h2-5,7,10H,6,9H2,1H3
InChIKeyAHBYUYHELCOFLX-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.18
Rot. Bonds2

About 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol

6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67031714) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID67031714
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCOCC1(N)C=CC=CC1O
InChIInChI=1S/C8H13NO2/c1-11-6-8(9)5-3-2-4-7(8)10/h2-5,7,10H,6,9H2,1H3
InChIKeyAHBYUYHELCOFLX-UHFFFAOYSA-N
XLogP-0.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-hydrox yl-3-ol
CID 67944221
6-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 19762736
6-Amino-5-fluoro-6-methylcyclohexa-2,4-dien-1-ol
CID 150149091
6-Amino-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 55284377
6-Amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 67080061
6-Amino-6-ethylcyclohexa-2,4-dien-1-ol
CID 70069168
4-Amino-4-(hydroxymethyl)cyclohexa-1,5-dien-1-ol
CID 70219152
6-Amino-2-methoxy-6-methylcyclohexa-2,4-dien-1-ol
CID 140194320
2,5-Diamino-2-methylcyclohexa-3,5-diene-1,3-diol
CID 140402241
(1,3-Diamino-6-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 141406407
6-Amino-6-methylcyclohexa-2,4-diene-1,2-diol
CID 172860341
(E,2R,3R)-2-amino-2-methylhex-4-ene-1,3-diol
CID 173717938

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol (CID 67031714) is 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol is COCC1(N)C=CC=CC1O.
What is the InChIKey of 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is AHBYUYHELCOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-6-8(9)5-3-2-4-7(8)10/h2-5,7,10H,6,9H2,1H3.
What are the key properties of 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol?
6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 155.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-(methoxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67031714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).