N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine

C₁₀H₂₁NS — CID 105163369

About N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine

N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine (PubChem CID 105163369) has the molecular formula C₁₀H₂₁NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine.

Molecular Properties

• Compound Name: N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
• PubChem CID: 105163369
• Molecular Formula: C₁₀H₂₁NS
• Molecular Weight: 187.35 g/mol
• Exact Mass: 187.14
• IUPAC Name: N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
• SMILES: CCNC(C=C(C)C)CCSC
• InChI: InChI=1S/C10H21NS/c1-5-11-10(6-7-12-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3
• InChIKey: UXEHMZHTLCDBMO-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	187.35
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?

The IUPAC name of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine (CID 105163369) is N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine.

What is the SMILES notation for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?

The canonical SMILES for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine is CCNC(C=C(C)C)CCSC.

What is the InChIKey of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?

The InChIKey is UXEHMZHTLCDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-11-10(6-7-12-4)8-9(2)3/h8,10-11H,5-7H2,1-4H3.

What are the key properties of N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine?

N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine is sourced from PubChem (CID 105163369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105163369 — identifiers, structure, computed properties (public domain)

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