naphthalene-1,6-diamine

C10H10N2 — CID 15748530

IUPACnaphthalene-1,6-diamine
SMILESNc1ccc2c(N)cccc2c1
InChIInChI=1S/C10H10N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,11-12H2
InChIKeyWSKHYOXDVZCOJP-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.00
Rot. Bonds

About naphthalene-1,6-diamine

naphthalene-1,6-diamine (PubChem CID 15748530) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is naphthalene-1,6-diamine.

Molecular Properties

Compound Namenaphthalene-1,6-diamine
PubChem CID15748530
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Namenaphthalene-1,6-diamine
SMILESNc1ccc2c(N)cccc2c1
InChIInChI=1S/C10H10N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,11-12H2
InChIKeyWSKHYOXDVZCOJP-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-1,6-diamine?
The IUPAC name of naphthalene-1,6-diamine (CID 15748530) is naphthalene-1,6-diamine.
What is the SMILES notation for naphthalene-1,6-diamine?
The canonical SMILES for naphthalene-1,6-diamine is Nc1ccc2c(N)cccc2c1.
What is the InChIKey of naphthalene-1,6-diamine?
The InChIKey is WSKHYOXDVZCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,11-12H2.
What are the key properties of naphthalene-1,6-diamine?
naphthalene-1,6-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-1,6-diamine is sourced from PubChem (CID 15748530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).