4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol

C8H13NO — CID 67096136

IUPAC4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1C=C(N)C=CC1(C)O
InChIInChI=1S/C8H13NO/c1-6-5-7(9)3-4-8(6,2)10/h3-6,10H,9H2,1-2H3
InChIKeyZXNCXGKQTRELGN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.79
Rot. Bonds

About 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol

4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 67096136) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID67096136
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1C=C(N)C=CC1(C)O
InChIInChI=1S/C8H13NO/c1-6-5-7(9)3-4-8(6,2)10/h3-6,10H,9H2,1-2H3
InChIKeyZXNCXGKQTRELGN-UHFFFAOYSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxy 4-isopropylaniline
CID 129853725
1,4-Diamino-6-(2-methylprop-1-enyl)cyclohexa-2,4-dien-1-ol
CID 17938045
4-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 22034802
1-Amino-6-methylcyclohexa-2,4-dien-1-ol
CID 23047997
1,5-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 66669423
1,3-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 66669463
1,4-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 66768938
1,2-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 67998650
3-Amino-1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 69464511
4-Amino-1,6-ditert-butylcyclohexa-2,4-dien-1-ol
CID 70460472
5-Amino-1,4,6-trimethylcyclohexa-2,4-dien-1-ol
CID 70582569
1-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634740

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol (CID 67096136) is 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol is CC1C=C(N)C=CC1(C)O.
What is the InChIKey of 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is ZXNCXGKQTRELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-5-7(9)3-4-8(6,2)10/h3-6,10H,9H2,1-2H3.
What are the key properties of 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol?
4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67096136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).