N,N-dimethyl-4-methylsulfanylbutan-1-amine

C7H17NS — CID 54463978

IUPACN,N-dimethyl-4-methylsulfanylbutan-1-amine
SMILESCSCCCCN(C)C
InChIInChI=1S/C7H17NS/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3
InChIKeyPTSAXKCFWGWZIY-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds5

About N,N-dimethyl-4-methylsulfanylbutan-1-amine

N,N-dimethyl-4-methylsulfanylbutan-1-amine (PubChem CID 54463978) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N,N-dimethyl-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-methylsulfanylbutan-1-amine
PubChem CID54463978
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN,N-dimethyl-4-methylsulfanylbutan-1-amine
SMILESCSCCCCN(C)C
InChIInChI=1S/C7H17NS/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3
InChIKeyPTSAXKCFWGWZIY-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(4-methylsulfanylbutyl)butane-1,4-diamine
CID 103087969
1-[7-(dimethylamino)heptyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628338
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
CID 139749120
N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
CID 144560896
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 169313143
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
22-methylsulfanyldocosane-1-thiol
CID 153338809
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 114525279
N',N'-dimethyl-N-methylsulfanylbutane-1,4-diamine
CID 156794132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methylsulfanylbutan-1-amine?
The IUPAC name of N,N-dimethyl-4-methylsulfanylbutan-1-amine (CID 54463978) is N,N-dimethyl-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N,N-dimethyl-4-methylsulfanylbutan-1-amine is CSCCCCN(C)C.
What is the InChIKey of N,N-dimethyl-4-methylsulfanylbutan-1-amine?
The InChIKey is PTSAXKCFWGWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-methylsulfanylbutan-1-amine?
N,N-dimethyl-4-methylsulfanylbutan-1-amine has a molecular weight of 147.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 54463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).