N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine

C23H28N4S — CID 97355875

IUPACN',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(/N=N/c2ccccc2SC)c2ccccc12
InChIInChI=1S/C23H28N4S/c1-4-27(5-2)17-16-24-20-14-15-21(19-11-7-6-10-18(19)20)25-26-22-12-8-9-13-23(22)28-3/h6-15,24H,4-5,16-17H2,1-3H3/b26-25+
InChIKeyZTNGZMPTQQNHDS-OCEACIFDSA-N
MW392.57 g/mol
LogP6.73
Rot. Bonds9

About N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine

N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine (PubChem CID 97355875) has the molecular formula C23H28N4S and a molecular weight of 392.57 g/mol. Its IUPAC name is N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine
PubChem CID97355875
Molecular FormulaC23H28N4S
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC NameN',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(/N=N/c2ccccc2SC)c2ccccc12
InChIInChI=1S/C23H28N4S/c1-4-27(5-2)17-16-24-20-14-15-21(19-11-7-6-10-18(19)20)25-26-22-12-8-9-13-23(22)28-3/h6-15,24H,4-5,16-17H2,1-3H3/b26-25+
InChIKeyZTNGZMPTQQNHDS-OCEACIFDSA-N
XLogP6.73
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[2-(diethylamino)ethylamino]naphthalen-1-yl]diazenyl]naphthalen-1-ol
CID 137198990
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 12714490
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
CID 5351142

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine (CID 97355875) is N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine is CCN(CC)CCNc1ccc(/N=N/c2ccccc2SC)c2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine?
The InChIKey is ZTNGZMPTQQNHDS-OCEACIFDSA-N. The full InChI is InChI=1S/C23H28N4S/c1-4-27(5-2)17-16-24-20-14-15-21(19-11-7-6-10-18(19)20)25-26-22-12-8-9-13-23(22)28-3/h6-15,24H,4-5,16-17H2,1-3H3/b26-25+.
What are the key properties of N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine has a molecular weight of 392.57 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[4-[(2-methylsulfanylphenyl)diazenyl]naphthalen-1-yl]ethane-1,2-diamine is sourced from PubChem (CID 97355875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).