(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine

C10H15NS — CID 89004193

IUPAC(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine
SMILESC=C(/C=C\C=C/C)/C(=C/N)SC
InChIInChI=1S/C10H15NS/c1-4-5-6-7-9(2)10(8-11)12-3/h4-8H,2,11H2,1,3H3/b5-4-,7-6-,10-8-
InChIKeyHTJMQEXPMCKESM-HRTGLWFLSA-N
MW181.30 g/mol
LogP2.84
Rot. Bonds4

About (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine

(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine (PubChem CID 89004193) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine
PubChem CID89004193
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine
SMILESC=C(/C=C\C=C/C)/C(=C/N)SC
InChIInChI=1S/C10H15NS/c1-4-5-6-7-9(2)10(8-11)12-3/h4-8H,2,11H2,1,3H3/b5-4-,7-6-,10-8-
InChIKeyHTJMQEXPMCKESM-HRTGLWFLSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine?
The IUPAC name of (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine (CID 89004193) is (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine.
What is the SMILES notation for (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine?
The canonical SMILES for (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine is C=C(/C=C\C=C/C)/C(=C/N)SC.
What is the InChIKey of (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine?
The InChIKey is HTJMQEXPMCKESM-HRTGLWFLSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-5-6-7-9(2)10(8-11)12-3/h4-8H,2,11H2,1,3H3/b5-4-,7-6-,10-8-.
What are the key properties of (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine?
(1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z,6Z)-3-methylidene-2-methylsulfanylocta-1,4,6-trien-1-amine is sourced from PubChem (CID 89004193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).