N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine

C11H19NS — CID 142051765

IUPACN-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(SCCC)/C(C)=C(C)\N=C\C
InChIInChI=1S/C11H19NS/c1-6-8-13-11(5)9(3)10(4)12-7-2/h7H,5-6,8H2,1-4H3/b10-9-,12-7+
InChIKeyLLIQJHFDEWTNGP-ZFNKZLGSSA-N
MW197.35 g/mol
LogP4.03
Rot. Bonds5

About N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine

N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine (PubChem CID 142051765) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine
PubChem CID142051765
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C(SCCC)/C(C)=C(C)\N=C\C
InChIInChI=1S/C11H19NS/c1-6-8-13-11(5)9(3)10(4)12-7-2/h7H,5-6,8H2,1-4H3/b10-9-,12-7+
InChIKeyLLIQJHFDEWTNGP-ZFNKZLGSSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.03
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'}

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Related Compounds

N-(5-ethenyl-1-methylidene-3,6-dihydro-2H-thiopyran-4-yl)ethanimine
CID 143533258
5,6-bis(prop-1-en-2-yl)-2H-1,4-thiazine
CID 143987850
N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-2-methylsulfanylbutan-1-imine
CID 145259339
N-[(2Z)-3-methyl-4-(3-methylidenepentan-2-ylsulfanyl)penta-2,4-dien-2-yl]ethanimine
CID 174342946

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine (CID 142051765) is N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine is C=C(SCCC)/C(C)=C(C)\N=C\C.
What is the InChIKey of N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine?
The InChIKey is LLIQJHFDEWTNGP-ZFNKZLGSSA-N. The full InChI is InChI=1S/C11H19NS/c1-6-8-13-11(5)9(3)10(4)12-7-2/h7H,5-6,8H2,1-4H3/b10-9-,12-7+.
What are the key properties of N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine?
N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine has a molecular weight of 197.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3-methyl-4-propylsulfanylpenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 142051765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).