1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride

C12H16Cl2N2 — CID 70555479

IUPAC1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride
SMILESCc1cc2ccc(N)cc2c(C)c1N.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-7-5-9-3-4-10(13)6-11(9)8(2)12(7)14;;/h3-6H,13-14H2,1-2H3;2*1H
InChIKeyIXGUDTVCCJVXBN-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.46
Rot. Bonds

About 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride

1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride (PubChem CID 70555479) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride
PubChem CID70555479
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride
SMILESCc1cc2ccc(N)cc2c(C)c1N.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-7-5-9-3-4-10(13)6-11(9)8(2)12(7)14;;/h3-6H,13-14H2,1-2H3;2*1H
InChIKeyIXGUDTVCCJVXBN-UHFFFAOYSA-N
XLogP3.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride?
The IUPAC name of 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride (CID 70555479) is 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride.
What is the SMILES notation for 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride?
The canonical SMILES for 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride is Cc1cc2ccc(N)cc2c(C)c1N.Cl.Cl.
What is the InChIKey of 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride?
The InChIKey is IXGUDTVCCJVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2ClH/c1-7-5-9-3-4-10(13)6-11(9)8(2)12(7)14;;/h3-6H,13-14H2,1-2H3;2*1H.
What are the key properties of 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride?
1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylnaphthalene-2,7-diamine;dihydrochloride is sourced from PubChem (CID 70555479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).