3,6-diaminocyclohex-4-ene-1,2-diol

C6H12N2O2 — CID 12559479

IUPAC3,6-diaminocyclohex-4-ene-1,2-diol
SMILESNC1C=CC(N)C(O)C1O
InChIInChI=1S/C6H12N2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-6,9-10H,7-8H2
InChIKeyFUTXKRRKBAHCLU-UHFFFAOYSA-N
MW144.17 g/mol
LogP-2.07
Rot. Bonds

About 3,6-diaminocyclohex-4-ene-1,2-diol

3,6-diaminocyclohex-4-ene-1,2-diol (PubChem CID 12559479) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3,6-diaminocyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name3,6-diaminocyclohex-4-ene-1,2-diol
PubChem CID12559479
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3,6-diaminocyclohex-4-ene-1,2-diol
SMILESNC1C=CC(N)C(O)C1O
InChIInChI=1S/C6H12N2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-6,9-10H,7-8H2
InChIKeyFUTXKRRKBAHCLU-UHFFFAOYSA-N
XLogP-2.07
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,6-diaminocyclohex-4-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12303821
CID 12303821
CID 16043236
CID 16043236
CID 45078911
CID 45078911
CID 153072730
CID 153072730
CID 146399094
CID 146399094
CID 146399095
CID 146399095
CID 10486977
CID 10486977
CID 10558745
CID 10558745
CID 10986368
CID 10986368
CID 11029966
CID 11029966
CID 11084015
CID 11084015
CID 11286538
CID 11286538

Frequently Asked Questions

What is the IUPAC name of 3,6-diaminocyclohex-4-ene-1,2-diol?
The IUPAC name of 3,6-diaminocyclohex-4-ene-1,2-diol (CID 12559479) is 3,6-diaminocyclohex-4-ene-1,2-diol.
What is the SMILES notation for 3,6-diaminocyclohex-4-ene-1,2-diol?
The canonical SMILES for 3,6-diaminocyclohex-4-ene-1,2-diol is NC1C=CC(N)C(O)C1O.
What is the InChIKey of 3,6-diaminocyclohex-4-ene-1,2-diol?
The InChIKey is FUTXKRRKBAHCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-6,9-10H,7-8H2.
What are the key properties of 3,6-diaminocyclohex-4-ene-1,2-diol?
3,6-diaminocyclohex-4-ene-1,2-diol has a molecular weight of 144.17 g/mol, XLogP of -2.07, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diaminocyclohex-4-ene-1,2-diol is sourced from PubChem (CID 12559479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).