2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine

C16H20N2 — CID 89113093

IUPAC2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine
SMILESCCC1=CC=C2C(=CC=C(CC)/C2=N\C)/C1=N/C
InChIInChI=1S/C16H20N2/c1-5-11-7-9-14-13(15(11)17-3)10-8-12(6-2)16(14)18-4/h7-10H,5-6H2,1-4H3/b17-15+,18-16+
InChIKeyIBBUIJUQJJJBNM-YTEMWHBBSA-N
MW240.35 g/mol
LogP3.68
Rot. Bonds2

About 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine

2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine (PubChem CID 89113093) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine.

Molecular Properties

Compound Name2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine
PubChem CID89113093
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine
SMILESCCC1=CC=C2C(=CC=C(CC)/C2=N\C)/C1=N/C
InChIInChI=1S/C16H20N2/c1-5-11-7-9-14-13(15(11)17-3)10-8-12(6-2)16(14)18-4/h7-10H,5-6H2,1-4H3/b17-15+,18-16+
InChIKeyIBBUIJUQJJJBNM-YTEMWHBBSA-N
XLogP3.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine?
The IUPAC name of 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine (CID 89113093) is 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine.
What is the SMILES notation for 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine?
The canonical SMILES for 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine is CCC1=CC=C2C(=CC=C(CC)/C2=N\C)/C1=N/C.
What is the InChIKey of 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine?
The InChIKey is IBBUIJUQJJJBNM-YTEMWHBBSA-N. The full InChI is InChI=1S/C16H20N2/c1-5-11-7-9-14-13(15(11)17-3)10-8-12(6-2)16(14)18-4/h7-10H,5-6H2,1-4H3/b17-15+,18-16+.
What are the key properties of 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine?
2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine has a molecular weight of 240.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1-N,5-N-dimethylnaphthalene-1,5-diimine is sourced from PubChem (CID 89113093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).