(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine

C12H19NS — CID 157040437

IUPAC(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N\C(=C)SC(C)C(C)CC=C
InChIInChI=1S/C12H19NS/c1-6-8-10(3)11(4)14-12(5)13-9-7-2/h6-7,9-11H,1-2,5,8H2,3-4H3/b13-9-
InChIKeyILUJESIYDJZNHJ-LCYFTJDESA-N
MW209.36 g/mol
LogP4.05
Rot. Bonds7

About (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine

(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine (PubChem CID 157040437) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine
PubChem CID157040437
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N\C(=C)SC(C)C(C)CC=C
InChIInChI=1S/C12H19NS/c1-6-8-10(3)11(4)14-12(5)13-9-7-2/h6-7,9-11H,1-2,5,8H2,3-4H3/b13-9-
InChIKeyILUJESIYDJZNHJ-LCYFTJDESA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
CID 139514862
4-(2-Methylsulfanylethyl)-3,4-dihydropyridine
CID 143082108
4-(2-Ethylsulfanylethyl)-3,4-dihydropyridine
CID 143418346
(Z)-N-[1-(2-ethylbut-3-enylsulfanyl)ethenyl]but-2-en-1-imine
CID 173709652
(Z)-N-(1-hex-5-en-3-ylsulfanylethenyl)but-2-en-1-imine
CID 173709676

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine?
The IUPAC name of (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine (CID 157040437) is (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine is C=C/C=N\C(=C)SC(C)C(C)CC=C.
What is the InChIKey of (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine?
The InChIKey is ILUJESIYDJZNHJ-LCYFTJDESA-N. The full InChI is InChI=1S/C12H19NS/c1-6-8-10(3)11(4)14-12(5)13-9-7-2/h6-7,9-11H,1-2,5,8H2,3-4H3/b13-9-.
What are the key properties of (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine?
(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine has a molecular weight of 209.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 157040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).