2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine

C11H21NS — CID 138532447

IUPAC2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine
SMILESC=C(C)SCCCC(=C)C(C)(C)N
InChIInChI=1S/C11H21NS/c1-9(2)13-8-6-7-10(3)11(4,5)12/h1,3,6-8,12H2,2,4-5H3
InChIKeyCZVGPUZSYCINSQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.33
Rot. Bonds6

About 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine

2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine (PubChem CID 138532447) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine
PubChem CID138532447
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine
SMILESC=C(C)SCCCC(=C)C(C)(C)N
InChIInChI=1S/C11H21NS/c1-9(2)13-8-6-7-10(3)11(4,5)12/h1,3,6-8,12H2,2,4-5H3
InChIKeyCZVGPUZSYCINSQ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine?
The IUPAC name of 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine (CID 138532447) is 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine.
What is the SMILES notation for 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine?
The canonical SMILES for 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine is C=C(C)SCCCC(=C)C(C)(C)N.
What is the InChIKey of 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine?
The InChIKey is CZVGPUZSYCINSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)13-8-6-7-10(3)11(4,5)12/h1,3,6-8,12H2,2,4-5H3.
What are the key properties of 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine?
2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine has a molecular weight of 199.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-6-prop-1-en-2-ylsulfanylhexan-2-amine is sourced from PubChem (CID 138532447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).