4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine

C₁₀H₂₁NS — CID 79190750

About 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine

4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine (PubChem CID 79190750) has the molecular formula C₁₀H₂₁NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine.

Molecular Properties

• Compound Name: 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine
• PubChem CID: 79190750
• Molecular Formula: C₁₀H₂₁NS
• Molecular Weight: 187.35 g/mol
• Exact Mass: 187.14
• IUPAC Name: 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine
• SMILES: CCCNC(C=C(C)C)CSC
• InChI: InChI=1S/C10H21NS/c1-5-6-11-10(8-12-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3
• InChIKey: OCJYMWOMHSKMHQ-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 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine?

The IUPAC name of 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine (CID 79190750) is 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine.

What is the SMILES notation for 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine?

The canonical SMILES for 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CSC.

What is the InChIKey of 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine?

The InChIKey is OCJYMWOMHSKMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-11-10(8-12-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3.

What are the key properties of 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine?

4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-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 4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 79190750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79190750 — identifiers, structure, computed properties (public domain)

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