1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide

C14H19BrN2 — CID 71388884

IUPAC1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide
SMILESBr.CN(C)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H18N2.BrH/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-10H,1-4H3;1H
InChIKeySMPYGYHWKQUPII-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.55
Rot. Bonds2

About 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide

1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide (PubChem CID 71388884) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide.

Molecular Properties

Compound Name1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide
PubChem CID71388884
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide
SMILESBr.CN(C)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C14H18N2.BrH/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-10H,1-4H3;1H
InChIKeySMPYGYHWKQUPII-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide?
The IUPAC name of 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide (CID 71388884) is 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide.
What is the SMILES notation for 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide?
The canonical SMILES for 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide is Br.CN(C)c1cccc2cccc(N(C)C)c12.
What is the InChIKey of 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide?
The InChIKey is SMPYGYHWKQUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.BrH/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4;/h5-10H,1-4H3;1H.
What are the key properties of 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide?
1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide has a molecular weight of 295.22 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine;hydrobromide is sourced from PubChem (CID 71388884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).