4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline

C15H26N2S — CID 112660972

IUPAC4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
SMILESCCC(CSC)N(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2S/c1-4-15(12-18-3)17(2)11-5-6-13-7-9-14(16)10-8-13/h7-10,15H,4-6,11-12,16H2,1-3H3
InChIKeyJVPAXEUGCNZYNS-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.27
Rot. Bonds8

About 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline

4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline (PubChem CID 112660972) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
PubChem CID112660972
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
SMILESCCC(CSC)N(C)CCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2S/c1-4-15(12-18-3)17(2)11-5-6-13-7-9-14(16)10-8-13/h7-10,15H,4-6,11-12,16H2,1-3H3
InChIKeyJVPAXEUGCNZYNS-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
4-[3-(diethylamino)propyl]aniline
CID 10608385
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
CID 112551530
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
4-[3-(2-methylbutylsulfanyl)propyl]aniline
CID 107754753
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
4-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]aniline
CID 79483188

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline?
The IUPAC name of 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline (CID 112660972) is 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline is CCC(CSC)N(C)CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline?
The InChIKey is JVPAXEUGCNZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-15(12-18-3)17(2)11-5-6-13-7-9-14(16)10-8-13/h7-10,15H,4-6,11-12,16H2,1-3H3.
What are the key properties of 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline?
4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline has a molecular weight of 266.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline is sourced from PubChem (CID 112660972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).