2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine

C10H10N2 — CID 71315897

IUPAC2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine
SMILES[2H]c1c([2H])c(N)c2c([2H])c([2H])c([2H])c(N)c2c1[2H]
InChIInChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2/i1D,2D,3D,4D,5D,6D
InChIKeyKQSABULTKYLFEV-MZWXYZOWSA-N
MW164.24 g/mol
LogP2.00
Rot. Bonds

About 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine

2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine (PubChem CID 71315897) has the molecular formula C10H10N2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine.

Molecular Properties

Compound Name2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine
PubChem CID71315897
Molecular FormulaC10H10N2
Molecular Weight164.24 g/mol
Exact Mass164.12
IUPAC Name2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine
SMILES[2H]c1c([2H])c(N)c2c([2H])c([2H])c([2H])c(N)c2c1[2H]
InChIInChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2/i1D,2D,3D,4D,5D,6D
InChIKeyKQSABULTKYLFEV-MZWXYZOWSA-N
XLogP2.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine?
The IUPAC name of 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine (CID 71315897) is 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine.
What is the SMILES notation for 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine?
The canonical SMILES for 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine is [2H]c1c([2H])c(N)c2c([2H])c([2H])c([2H])c(N)c2c1[2H].
What is the InChIKey of 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine?
The InChIKey is KQSABULTKYLFEV-MZWXYZOWSA-N. The full InChI is InChI=1S/C10H10N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H,11-12H2/i1D,2D,3D,4D,5D,6D.
What are the key properties of 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine?
2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine has a molecular weight of 164.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexadeuterionaphthalene-1,5-diamine is sourced from PubChem (CID 71315897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).