4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol

C7H12N2O — CID 23619295

IUPAC4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(N)C=C(N)C=CC1O
InChIInChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,8-9H2,1H3
InChIKeyDPSYWSCDUWNPIW-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds

About 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol

4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 23619295) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID23619295
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(N)C=C(N)C=CC1O
InChIInChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,8-9H2,1H3
InChIKeyDPSYWSCDUWNPIW-UHFFFAOYSA-N
XLogP-0.52
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
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
2-Amino-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 20238553
3-Amino-6-methylidenecyclohexa-2,4-dien-1-ol
CID 20494140
4,6-Diamino-6-(aminomethyl)cyclohexa-2,4-dien-1-ol
CID 21278600
4-Amino-1-methylcyclohexa-2,4-dien-1-ol
CID 22034802
6-Amino-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 55284377
1-(2-Aminobenzene-5-id-1-yl)ethanol;yttrium
CID 59094551
1,3-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 66669463
1,4-Diamino-6-methylcyclohexa-2,4-dien-1-ol
CID 66768938
6-Amino-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 67080061

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol (CID 23619295) is 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol is CC1(N)C=C(N)C=CC1O.
What is the InChIKey of 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is DPSYWSCDUWNPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,8-9H2,1H3.
What are the key properties of 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol?
4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 140.19 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23619295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).