4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol

C7H12N2O — CID 70636234

IUPAC4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(N)CC(N)=CC=C1O
InChIInChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-3,10H,4,8-9H2,1H3
InChIKeyPXTJLOZYMBNREW-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.39
Rot. Bonds

About 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol

4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 70636234) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID70636234
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(N)CC(N)=CC=C1O
InChIInChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-3,10H,4,8-9H2,1H3
InChIKeyPXTJLOZYMBNREW-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol (CID 70636234) is 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol is CC1(N)CC(N)=CC=C1O.
What is the InChIKey of 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is PXTJLOZYMBNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(9)4-5(8)2-3-6(7)10/h2-3,10H,4,8-9H2,1H3.
What are the key properties of 4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol?
4,6-diamino-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.39, 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-1,3-dien-1-ol is sourced from PubChem (CID 70636234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).