N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine

C11H26N2S — CID 103087969

IUPACN',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
SMILESCSCCCCNCCCCN(C)C
InChIInChI=1S/C11H26N2S/c1-13(2)10-6-4-8-12-9-5-7-11-14-3/h12H,4-11H2,1-3H3
InChIKeyWJLSQQLDVCFCPW-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.06
Rot. Bonds10

About N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine

N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine (PubChem CID 103087969) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
PubChem CID103087969
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
SMILESCSCCCCNCCCCN(C)C
InChIInChI=1S/C11H26N2S/c1-13(2)10-6-4-8-12-9-5-7-11-14-3/h12H,4-11H2,1-3H3
InChIKeyWJLSQQLDVCFCPW-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
1-[7-(dimethylamino)heptyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628338
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
CID 156794132
2-(3-methylsulfanylpropylamino)ethanethiol
CID 130737120
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N'-(3-methylsulfanylpropyl)butane-1,4-diamine
CID 60895256

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine (CID 103087969) is N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine is CSCCCCNCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine?
The InChIKey is WJLSQQLDVCFCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-13(2)10-6-4-8-12-9-5-7-11-14-3/h12H,4-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine?
N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine is sourced from PubChem (CID 103087969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).