(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine

C11H23NS — CID 89353302

IUPAC(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
SMILESC=C(CC(C)CC)[C@@H](N)CCSC
InChIInChI=1S/C11H23NS/c1-5-9(2)8-10(3)11(12)6-7-13-4/h9,11H,3,5-8,12H2,1-2,4H3/t9?,11-/m0/s1
InChIKeyPWKYVUINMITHQH-UMJHXOGRSA-N
MW201.38 g/mol
LogP3.06
Rot. Bonds7

About (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine

(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine (PubChem CID 89353302) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine.

Molecular Properties

Compound Name(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
PubChem CID89353302
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
SMILESC=C(CC(C)CC)[C@@H](N)CCSC
InChIInChI=1S/C11H23NS/c1-5-9(2)8-10(3)11(12)6-7-13-4/h9,11H,3,5-8,12H2,1-2,4H3/t9?,11-/m0/s1
InChIKeyPWKYVUINMITHQH-UMJHXOGRSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine?
The IUPAC name of (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine (CID 89353302) is (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine.
What is the SMILES notation for (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine?
The canonical SMILES for (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine is C=C(CC(C)CC)[C@@H](N)CCSC.
What is the InChIKey of (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine?
The InChIKey is PWKYVUINMITHQH-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-9(2)8-10(3)11(12)6-7-13-4/h9,11H,3,5-8,12H2,1-2,4H3/t9?,11-/m0/s1.
What are the key properties of (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine?
(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine is sourced from PubChem (CID 89353302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).