4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine

C14H24N2S — CID 43680115

IUPAC4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCCSC)cc1
InChIInChI=1S/C14H24N2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12-17-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyRGOOOYWDQUHRQY-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.70
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine (PubChem CID 43680115) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
PubChem CID43680115
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCCSC)cc1
InChIInChI=1S/C14H24N2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12-17-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyRGOOOYWDQUHRQY-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
5-[4-(diethylamino)anilino]pentanoic acid
CID 63180274
4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
CID 79227267
N-(3-methylsulfanylpropyl)-4-pentylaniline
CID 29286624
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
4-[4-(diethylamino)anilino]-N'-hydroxybutanimidamide
CID 77031382
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
N-(3-methylsulfanylpropyl)-4-(trifluoromethylsulfanyl)aniline
CID 43720459
1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine (CID 43680115) is 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine is CCN(CC)c1ccc(NCCCSC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine?
The InChIKey is RGOOOYWDQUHRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12-17-3/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 43680115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).