naphthalene-1,6-diamine;naphthalene-1,8-diamine

C20H20N4 — CID 158469220

IUPACnaphthalene-1,6-diamine;naphthalene-1,8-diamine
SMILESNc1ccc2c(N)cccc2c1.Nc1cccc2cccc(N)c12
InChIInChI=1S/2C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h2*1-6H,11-12H2
InChIKeyHGDIJMVYIUYAHW-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.01
Rot. Bonds

About naphthalene-1,6-diamine;naphthalene-1,8-diamine

naphthalene-1,6-diamine;naphthalene-1,8-diamine (PubChem CID 158469220) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is naphthalene-1,6-diamine;naphthalene-1,8-diamine.

Molecular Properties

Compound Namenaphthalene-1,6-diamine;naphthalene-1,8-diamine
PubChem CID158469220
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Namenaphthalene-1,6-diamine;naphthalene-1,8-diamine
SMILESNc1ccc2c(N)cccc2c1.Nc1cccc2cccc(N)c12
InChIInChI=1S/2C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h2*1-6H,11-12H2
InChIKeyHGDIJMVYIUYAHW-UHFFFAOYSA-N
XLogP4.01
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-amine;naphthalen-2-amine
CID 70377972
hexahelicene-3,14-diamine
CID 102491196
ethane;naphthalene-1,8-diamine
CID 90905453
pyren-1-amine
CID 15352
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132
pyren-1-amine;pyrene-1,3-diamine;pyrene-1,6-diamine;pyrene-1,8-diamine
CID 175402648
dichloromethane;naphthalen-1-amine
CID 174958204
5-phenylnaphthalen-2-amine
CID 66729016
CID 135259743
CID 135259743
7-aminonaphthalene-2-thiol;8-aminonaphthalene-2-thiol
CID 157445398
6-aminonaphthalene-1-thiol;7-aminonaphthalene-1-thiol
CID 67419716
5-aminonaphthalene-2-sulfonate
CID 6994087

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,6-diamine;naphthalene-1,8-diamine?
The IUPAC name of naphthalene-1,6-diamine;naphthalene-1,8-diamine (CID 158469220) is naphthalene-1,6-diamine;naphthalene-1,8-diamine.
What is the SMILES notation for naphthalene-1,6-diamine;naphthalene-1,8-diamine?
The canonical SMILES for naphthalene-1,6-diamine;naphthalene-1,8-diamine is Nc1ccc2c(N)cccc2c1.Nc1cccc2cccc(N)c12.
What is the InChIKey of naphthalene-1,6-diamine;naphthalene-1,8-diamine?
The InChIKey is HGDIJMVYIUYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12/h2*1-6H,11-12H2.
What are the key properties of naphthalene-1,6-diamine;naphthalene-1,8-diamine?
naphthalene-1,6-diamine;naphthalene-1,8-diamine has a molecular weight of 316.41 g/mol, XLogP of 4.01, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,6-diamine;naphthalene-1,8-diamine is sourced from PubChem (CID 158469220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).