2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C14H16Br2N2 — CID 71350739

IUPAC2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1c(Br)ccc2ccc(Br)c(N(C)C)c12
InChIInChI=1S/C14H16Br2N2/c1-17(2)13-10(15)7-5-9-6-8-11(16)14(12(9)13)18(3)4/h5-8H,1-4H3
InChIKeyGNHXEVKPFIELLD-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.50
Rot. Bonds2

About 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 71350739) has the molecular formula C14H16Br2N2 and a molecular weight of 372.10 g/mol. Its IUPAC name is 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID71350739
Molecular FormulaC14H16Br2N2
Molecular Weight372.10 g/mol
Exact Mass369.97
IUPAC Name2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1c(Br)ccc2ccc(Br)c(N(C)C)c12
InChIInChI=1S/C14H16Br2N2/c1-17(2)13-10(15)7-5-9-6-8-11(16)14(12(9)13)18(3)4/h5-8H,1-4H3
InChIKeyGNHXEVKPFIELLD-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 71350739) is 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is CN(C)c1c(Br)ccc2ccc(Br)c(N(C)C)c12.
What is the InChIKey of 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is GNHXEVKPFIELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2/c1-17(2)13-10(15)7-5-9-6-8-11(16)14(12(9)13)18(3)4/h5-8H,1-4H3.
What are the key properties of 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 372.10 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 71350739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).