azane;naphthalen-1-amine;dihydrochloride

C10H14Cl2N2 — CID 142719941

IUPACazane;naphthalen-1-amine;dihydrochloride
SMILESCl.Cl.N.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.2ClH.H3N/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,11H2;2*1H;1H3
InChIKeyLDCFVLNUSWFVQQ-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.43
Rot. Bonds

About azane;naphthalen-1-amine;dihydrochloride

azane;naphthalen-1-amine;dihydrochloride (PubChem CID 142719941) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is azane;naphthalen-1-amine;dihydrochloride.

Molecular Properties

Compound Nameazane;naphthalen-1-amine;dihydrochloride
PubChem CID142719941
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Nameazane;naphthalen-1-amine;dihydrochloride
SMILESCl.Cl.N.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.2ClH.H3N/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,11H2;2*1H;1H3
InChIKeyLDCFVLNUSWFVQQ-UHFFFAOYSA-N
XLogP3.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.43
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 azane;naphthalen-1-amine;dihydrochloride?
The IUPAC name of azane;naphthalen-1-amine;dihydrochloride (CID 142719941) is azane;naphthalen-1-amine;dihydrochloride.
What is the SMILES notation for azane;naphthalen-1-amine;dihydrochloride?
The canonical SMILES for azane;naphthalen-1-amine;dihydrochloride is Cl.Cl.N.Nc1cccc2ccccc12.
What is the InChIKey of azane;naphthalen-1-amine;dihydrochloride?
The InChIKey is LDCFVLNUSWFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.2ClH.H3N/c11-10-7-3-5-8-4-1-2-6-9(8)10;;;/h1-7H,11H2;2*1H;1H3.
What are the key properties of azane;naphthalen-1-amine;dihydrochloride?
azane;naphthalen-1-amine;dihydrochloride has a molecular weight of 233.14 g/mol, XLogP of 3.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;naphthalen-1-amine;dihydrochloride is sourced from PubChem (CID 142719941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).