(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine

C10H17NS — CID 144752184

IUPAC(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(CCSC)=N\CC
InChIInChI=1S/C10H17NS/c1-4-6-7-10(11-5-2)8-9-12-3/h4,6-7H,1,5,8-9H2,2-3H3/b7-6-,11-10-
InChIKeyGKNPEXYNOIQRMC-QOXWLJPHSA-N
MW183.32 g/mol
LogP2.94
Rot. Bonds6

About (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine

(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine (PubChem CID 144752184) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
PubChem CID144752184
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
SMILESC=C/C=C\C(CCSC)=N\CC
InChIInChI=1S/C10H17NS/c1-4-6-7-10(11-5-2)8-9-12-3/h4,6-7H,1,5,8-9H2,2-3H3/b7-6-,11-10-
InChIKeyGKNPEXYNOIQRMC-QOXWLJPHSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.94
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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Launch Full Analysis

Related Compounds

6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine
CID 90914787
2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, cis
CID 91750856
2-(1,3-Octadienyl)-4,5-dimethyl-3-thiazoline, trans
CID 91750857
2,3-Dihydro-4,1-benzothiazepine
CID 19810500
2,3,4,6-Tetrahydro-1,5-benzothiazepine
CID 69958314
2-methyl-5-propylsulfanyl-2H-benzimidazole
CID 70618141
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
(Z)-3-N-methyl-4-methylidene-2-N-[(Z)-2-methylidene-3-methylsulfanylpent-3-enyl]hept-5-ene-2,3-diimine
CID 117829412
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123212945
1,1-dimethyl-N-propyl-2,3-dihydrothiopyran-4-imine
CID 123231255
3-[[(E)-oct-5-en-4-ylidene]amino]propane-1-thiol
CID 123251752
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine (CID 144752184) is (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine is C=C/C=C\C(CCSC)=N\CC.
What is the InChIKey of (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine?
The InChIKey is GKNPEXYNOIQRMC-QOXWLJPHSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-6-7-10(11-5-2)8-9-12-3/h4,6-7H,1,5,8-9H2,2-3H3/b7-6-,11-10-.
What are the key properties of (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine?
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine has a molecular weight of 183.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine is sourced from PubChem (CID 144752184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).