1,4-dimethylnaphthalene-2,6-diamine

C12H14N2 — CID 139601162

IUPAC1,4-dimethylnaphthalene-2,6-diamine
SMILESCc1cc(N)c(C)c2ccc(N)cc12
InChIInChI=1S/C12H14N2/c1-7-5-12(14)8(2)10-4-3-9(13)6-11(7)10/h3-6H,13-14H2,1-2H3
InChIKeyRWOSSNBHZMVKJY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.62
Rot. Bonds

About 1,4-dimethylnaphthalene-2,6-diamine

1,4-dimethylnaphthalene-2,6-diamine (PubChem CID 139601162) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name1,4-dimethylnaphthalene-2,6-diamine
PubChem CID139601162
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,4-dimethylnaphthalene-2,6-diamine
SMILESCc1cc(N)c(C)c2ccc(N)cc12
InChIInChI=1S/C12H14N2/c1-7-5-12(14)8(2)10-4-3-9(13)6-11(7)10/h3-6H,13-14H2,1-2H3
InChIKeyRWOSSNBHZMVKJY-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-dimethylpyrene-1,6-diamine
CID 163838926
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9,10-dimethylphenanthridine-2,7-diamine
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CID 3020827
anthracene-2,9,10-triamine
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11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine
CID 14121429
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CID 19078044
1,2,4,6-tetramethylnaphthalene
CID 54387778

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene-2,6-diamine?
The IUPAC name of 1,4-dimethylnaphthalene-2,6-diamine (CID 139601162) is 1,4-dimethylnaphthalene-2,6-diamine.
What is the SMILES notation for 1,4-dimethylnaphthalene-2,6-diamine?
The canonical SMILES for 1,4-dimethylnaphthalene-2,6-diamine is Cc1cc(N)c(C)c2ccc(N)cc12.
What is the InChIKey of 1,4-dimethylnaphthalene-2,6-diamine?
The InChIKey is RWOSSNBHZMVKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-5-12(14)8(2)10-4-3-9(13)6-11(7)10/h3-6H,13-14H2,1-2H3.
What are the key properties of 1,4-dimethylnaphthalene-2,6-diamine?
1,4-dimethylnaphthalene-2,6-diamine has a molecular weight of 186.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylnaphthalene-2,6-diamine is sourced from PubChem (CID 139601162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).