naphthalene-1,4-diamine

C10H10N2 — CID 16719

IUPACnaphthalene-1,4-diamine
SMILESNc1ccc(N)c2ccccc12
InChIInChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2
InChIKeyOKBVMLGZPNDWJK-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.00
Rot. Bonds

About naphthalene-1,4-diamine

naphthalene-1,4-diamine (PubChem CID 16719) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is naphthalene-1,4-diamine.

Molecular Properties

Compound Namenaphthalene-1,4-diamine
PubChem CID16719
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Namenaphthalene-1,4-diamine
SMILESNc1ccc(N)c2ccccc12
InChIInChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2
InChIKeyOKBVMLGZPNDWJK-UHFFFAOYSA-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 ≤ 500158.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,4-diamine?
The IUPAC name of naphthalene-1,4-diamine (CID 16719) is naphthalene-1,4-diamine.
What is the SMILES notation for naphthalene-1,4-diamine?
The canonical SMILES for naphthalene-1,4-diamine is Nc1ccc(N)c2ccccc12.
What is the InChIKey of naphthalene-1,4-diamine?
The InChIKey is OKBVMLGZPNDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2.
What are the key properties of naphthalene-1,4-diamine?
naphthalene-1,4-diamine has a molecular weight of 158.20 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 naphthalene-1,4-diamine is sourced from PubChem (CID 16719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).