5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine

C₁₁H₂₃NS — CID 105163266

About 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine

5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine (PubChem CID 105163266) has the molecular formula C₁₁H₂₃NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine.

Molecular Properties

• Compound Name: 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
• PubChem CID: 105163266
• Molecular Formula: C₁₁H₂₃NS
• Molecular Weight: 201.38 g/mol
• Exact Mass: 201.16
• IUPAC Name: 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
• SMILES: CCCNC(C=C(C)C)CCSC
• InChI: InChI=1S/C11H23NS/c1-5-7-12-11(6-8-13-4)9-10(2)3/h9,11-12H,5-8H2,1-4H3
• InChIKey: OEUCNCDGWLPYKV-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.38
LogP ≤ 5	3.07
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 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?

The IUPAC name of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine (CID 105163266) is 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine.

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

The canonical SMILES for 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)CCSC.

What is the InChIKey of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?

The InChIKey is OEUCNCDGWLPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-7-12-11(6-8-13-4)9-10(2)3/h9,11-12H,5-8H2,1-4H3.

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

5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine is sourced from PubChem (CID 105163266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105163266 — identifiers, structure, computed properties (public domain)

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