N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine

C8H17NS2 — CID 144648093

IUPACN-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine
SMILESC=C(CCSSC)N(C)CC
InChIInChI=1S/C8H17NS2/c1-5-9(3)8(2)6-7-11-10-4/h2,5-7H2,1,3-4H3
InChIKeyIUEATEXGRGVCSY-UHFFFAOYSA-N
MW191.36 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine

N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine (PubChem CID 144648093) has the molecular formula C8H17NS2 and a molecular weight of 191.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine
PubChem CID144648093
Molecular FormulaC8H17NS2
Molecular Weight191.36 g/mol
Exact Mass191.08
IUPAC NameN-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine
SMILESC=C(CCSSC)N(C)CC
InChIInChI=1S/C8H17NS2/c1-5-9(3)8(2)6-7-11-10-4/h2,5-7H2,1,3-4H3
InChIKeyIUEATEXGRGVCSY-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine?
The IUPAC name of N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine (CID 144648093) is N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine?
The canonical SMILES for N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine is C=C(CCSSC)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine?
The InChIKey is IUEATEXGRGVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS2/c1-5-9(3)8(2)6-7-11-10-4/h2,5-7H2,1,3-4H3.
What are the key properties of N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine?
N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine has a molecular weight of 191.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-(methyldisulfanyl)but-1-en-2-amine is sourced from PubChem (CID 144648093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).