6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride

C14H18ClN3 — CID 70700010

IUPAC6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride
SMILESCc1ccccc1/N=N/C1(N)C=CC=CC1C.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-7-3-4-9-13(11)16-17-14(15)10-6-5-8-12(14)2;/h3-10,12H,15H2,1-2H3;1H/b17-16+;
InChIKeyFVZPWJSZGDAHLP-CMBBICFISA-N
MW263.77 g/mol
LogP3.92
Rot. Bonds2

About 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride

6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride (PubChem CID 70700010) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride
PubChem CID70700010
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride
SMILESCc1ccccc1/N=N/C1(N)C=CC=CC1C.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-7-3-4-9-13(11)16-17-14(15)10-6-5-8-12(14)2;/h3-10,12H,15H2,1-2H3;1H/b17-16+;
InChIKeyFVZPWJSZGDAHLP-CMBBICFISA-N
XLogP3.92
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride?
The IUPAC name of 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride (CID 70700010) is 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride.
What is the SMILES notation for 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride?
The canonical SMILES for 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride is Cc1ccccc1/N=N/C1(N)C=CC=CC1C.Cl.
What is the InChIKey of 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride?
The InChIKey is FVZPWJSZGDAHLP-CMBBICFISA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-11-7-3-4-9-13(11)16-17-14(15)10-6-5-8-12(14)2;/h3-10,12H,15H2,1-2H3;1H/b17-16+;.
What are the key properties of 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride?
6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-amine;hydrochloride is sourced from PubChem (CID 70700010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).