(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine

C10H15NS — CID 176521833

IUPAC(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine
SMILESC=C=C/C(SC)=C(\CC=C)NC
InChIInChI=1S/C10H15NS/c1-5-7-9(11-3)10(12-4)8-6-2/h5,8,11H,1-2,7H2,3-4H3/b10-9-
InChIKeyFKGQIHFNQGWUAU-KTKRTIGZSA-N
MW181.30 g/mol
LogP2.70
Rot. Bonds5

About (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine

(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine (PubChem CID 176521833) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine.

Molecular Properties

Compound Name(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine
PubChem CID176521833
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine
SMILESC=C=C/C(SC)=C(\CC=C)NC
InChIInChI=1S/C10H15NS/c1-5-7-9(11-3)10(12-4)8-6-2/h5,8,11H,1-2,7H2,3-4H3/b10-9-
InChIKeyFKGQIHFNQGWUAU-KTKRTIGZSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-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 (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine?
The IUPAC name of (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine (CID 176521833) is (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine.
What is the SMILES notation for (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine?
The canonical SMILES for (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine is C=C=C/C(SC)=C(\CC=C)NC.
What is the InChIKey of (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine?
The InChIKey is FKGQIHFNQGWUAU-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-7-9(11-3)10(12-4)8-6-2/h5,8,11H,1-2,7H2,3-4H3/b10-9-.
What are the key properties of (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine?
(4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine has a molecular weight of 181.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-methyl-5-methylsulfanylocta-1,4,6,7-tetraen-4-amine is sourced from PubChem (CID 176521833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).