2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine

C9H19NS2 — CID 177151310

IUPAC2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine
SMILESC=C(C)C(C)(C)SSCCNC
InChIInChI=1S/C9H19NS2/c1-8(2)9(3,4)12-11-7-6-10-5/h10H,1,6-7H2,2-5H3
InChIKeyOROVOTJZQLHTMY-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.94
Rot. Bonds6

About 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine

2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine (PubChem CID 177151310) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine
PubChem CID177151310
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine
SMILESC=C(C)C(C)(C)SSCCNC
InChIInChI=1S/C9H19NS2/c1-8(2)9(3,4)12-11-7-6-10-5/h10H,1,6-7H2,2-5H3
InChIKeyOROVOTJZQLHTMY-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-methylbut-3-enyldisulfanyl)ethanamine
CID 154687101
N-methyl-2-(3-methylbut-3-enyldisulfanyl)ethanamine
CID 162735307
2-(2,3-Dimethylbut-3-en-2-yldisulfanyl)ethanamine
CID 164014382
(E)-N,2-dimethyl-3-[(E)-2-methylbut-1-enyl]sulfanylprop-2-en-1-amine
CID 170038534

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine (CID 177151310) is 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine is C=C(C)C(C)(C)SSCCNC.
What is the InChIKey of 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine?
The InChIKey is OROVOTJZQLHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-8(2)9(3,4)12-11-7-6-10-5/h10H,1,6-7H2,2-5H3.
What are the key properties of 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine?
2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine has a molecular weight of 205.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-3-en-2-yldisulfanyl)-N-methylethanamine is sourced from PubChem (CID 177151310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).