N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride

C18H19ClN4 — CID 117067404

IUPACN'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N4.ClH/c19-12-13-20-17-10-11-18(16-9-5-4-8-15(16)17)22-21-14-6-2-1-3-7-14;/h1-11,20H,12-13,19H2;1H/b22-21+;
InChIKeyHKJWMMOTESBZEZ-QUABFQRHSA-N
MW326.83 g/mol
LogP5.05
Rot. Bonds5

About N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride

N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 117067404) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
PubChem CID117067404
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC NameN'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNc1ccc(/N=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C18H18N4.ClH/c19-12-13-20-17-10-11-18(16-9-5-4-8-15(16)17)22-21-14-6-2-1-3-7-14;/h1-11,20H,12-13,19H2;1H/b22-21+;
InChIKeyHKJWMMOTESBZEZ-QUABFQRHSA-N
XLogP5.05
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-4-phenyldiazenylnaphthalen-1-amine
CID 97355845
4-N-(2-aminoethyl)naphthalene-1,4-diamine
CID 146264180
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine
CID 23523630
4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine;N-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-naphthalen-1-ylethane-1,2-diamine;(1-methyl-4-pyridinylidene)hydrazine;trichloride;dihydrochloride
CID 158211337
5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
CID 137198990
4-[[4-[(1-methylpyridin-1-ium-4-yl)diazenyl]naphthalen-1-yl]diazenyl]aniline
CID 131885167
5-(2-aminoethylamino)-4-[[4-(dimethylamino)phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 155675922
N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine
CID 97355875
sodium;4-phenyldiazenylnaphthalen-1-amine;sulfite
CID 20837891

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride (CID 117067404) is N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride is Cl.NCCNc1ccc(/N=N/c2ccccc2)c2ccccc12.
What is the InChIKey of N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is HKJWMMOTESBZEZ-QUABFQRHSA-N. The full InChI is InChI=1S/C18H18N4.ClH/c19-12-13-20-17-10-11-18(16-9-5-4-8-15(16)17)22-21-14-6-2-1-3-7-14;/h1-11,20H,12-13,19H2;1H/b22-21+;.
What are the key properties of N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride?
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 117067404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).