3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine

C10H19NS — CID 91360087

IUPAC3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
SMILESC=CC=C(C)C(N)CS(=C)(=C)C
InChIInChI=1S/C10H19NS/c1-6-7-9(2)10(11)8-12(3,4)5/h6-7,10H,1,3-4,8,11H2,2,5H3
InChIKeyFAPOUTKJSUERMQ-UHFFFAOYSA-N
MW185.34 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine

3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine (PubChem CID 91360087) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
PubChem CID91360087
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine
SMILESC=CC=C(C)C(N)CS(=C)(=C)C
InChIInChI=1S/C10H19NS/c1-6-7-9(2)10(11)8-12(3,4)5/h6-7,10H,1,3-4,8,11H2,2,5H3
InChIKeyFAPOUTKJSUERMQ-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine?
The IUPAC name of 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine (CID 91360087) is 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine.
What is the SMILES notation for 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine?
The canonical SMILES for 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine is C=CC=C(C)C(N)CS(=C)(=C)C.
What is the InChIKey of 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine?
The InChIKey is FAPOUTKJSUERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-7-9(2)10(11)8-12(3,4)5/h6-7,10H,1,3-4,8,11H2,2,5H3.
What are the key properties of 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine?
3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine has a molecular weight of 185.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(dimethylidene)-λ6-sulfanyl]hexa-3,5-dien-2-amine is sourced from PubChem (CID 91360087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).