N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine

C8H13NS — CID 167030579

IUPACN-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\SC)C(=C)C
InChIInChI=1S/C8H13NS/c1-6(2)8(10-5)7(3)9-4/h1,4H2,2-3,5H3/b8-7-
InChIKeyANOFJROWJLYPMO-FPLPWBNLSA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds3

About N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine

N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine (PubChem CID 167030579) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine
PubChem CID167030579
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\SC)C(=C)C
InChIInChI=1S/C8H13NS/c1-6(2)8(10-5)7(3)9-4/h1,4H2,2-3,5H3/b8-7-
InChIKeyANOFJROWJLYPMO-FPLPWBNLSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine with MolForge

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Related Compounds

(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
CID 126704572
N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine
CID 137384360
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
CID 143081164
ethane;N-[(3E)-5-methyl-4-methylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143768531
(3Z)-2,5-dimethyl-4-(methylideneamino)hexa-1,3,5-triene-3-thiol
CID 143996263
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598129
N-(5-ethenyl-3-methyl-3,6-dihydro-2H-thiopyran-4-yl)methanimine
CID 145188480
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 145484044
N-[(3Z,5E)-2,7-dimethyl-6-methylsulfanylnona-3,5-dien-3-yl]methanimine
CID 174251978

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine (CID 167030579) is N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine is C=N/C(C)=C(\SC)C(=C)C.
What is the InChIKey of N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is ANOFJROWJLYPMO-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)8(10-5)7(3)9-4/h1,4H2,2-3,5H3/b8-7-.
What are the key properties of N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine?
N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine has a molecular weight of 155.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-methyl-3-methylsulfanylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 167030579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).