benzene-1,3-diamine;naphthalene-1,5-diamine

C16H18N4 — CID 139435132

IUPACbenzene-1,3-diamine;naphthalene-1,5-diamine
SMILESNc1cccc(N)c1.Nc1cccc2c(N)cccc12
InChIInChI=1S/C10H10N2.C6H8N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;7-5-2-1-3-6(8)4-5/h1-6H,11-12H2;1-4H,7-8H2
InChIKeyGSQZOTLOQJQKNO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.86
Rot. Bonds

About benzene-1,3-diamine;naphthalene-1,5-diamine

benzene-1,3-diamine;naphthalene-1,5-diamine (PubChem CID 139435132) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is benzene-1,3-diamine;naphthalene-1,5-diamine.

Molecular Properties

Compound Namebenzene-1,3-diamine;naphthalene-1,5-diamine
PubChem CID139435132
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Namebenzene-1,3-diamine;naphthalene-1,5-diamine
SMILESNc1cccc(N)c1.Nc1cccc2c(N)cccc12
InChIInChI=1S/C10H10N2.C6H8N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;7-5-2-1-3-6(8)4-5/h1-6H,11-12H2;1-4H,7-8H2
InChIKeyGSQZOTLOQJQKNO-UHFFFAOYSA-N
XLogP2.86
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diamine;naphthalene-1,5-diamine?
The IUPAC name of benzene-1,3-diamine;naphthalene-1,5-diamine (CID 139435132) is benzene-1,3-diamine;naphthalene-1,5-diamine.
What is the SMILES notation for benzene-1,3-diamine;naphthalene-1,5-diamine?
The canonical SMILES for benzene-1,3-diamine;naphthalene-1,5-diamine is Nc1cccc(N)c1.Nc1cccc2c(N)cccc12.
What is the InChIKey of benzene-1,3-diamine;naphthalene-1,5-diamine?
The InChIKey is GSQZOTLOQJQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C6H8N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12;7-5-2-1-3-6(8)4-5/h1-6H,11-12H2;1-4H,7-8H2.
What are the key properties of benzene-1,3-diamine;naphthalene-1,5-diamine?
benzene-1,3-diamine;naphthalene-1,5-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diamine;naphthalene-1,5-diamine is sourced from PubChem (CID 139435132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).