N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine

C11H20N2S — CID 123715391

IUPACN-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine
SMILESC=CCCCC(C/C=N/CC)CN=S
InChIInChI=1S/C11H20N2S/c1-3-5-6-7-11(10-13-14)8-9-12-4-2/h3,9,11H,1,4-8,10H2,2H3/b12-9+
InChIKeyWQBVZLZUOCDROS-FMIVXFBMSA-N
MW212.36 g/mol
LogP3.17
Rot. Bonds9

About N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine

N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine (PubChem CID 123715391) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine.

Molecular Properties

Compound NameN-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine
PubChem CID123715391
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine
SMILESC=CCCCC(C/C=N/CC)CN=S
InChIInChI=1S/C11H20N2S/c1-3-5-6-7-11(10-13-14)8-9-12-4-2/h3,9,11H,1,4-8,10H2,2H3/b12-9+
InChIKeyWQBVZLZUOCDROS-FMIVXFBMSA-N
XLogP3.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-N-[5-(3-prop-2-enyloctylideneamino)pentyl]octan-1-imine
CID 88610262
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
2-(5-Ethenyloct-1-en-3-yl)imidazol-2-ylium
CID 90889664
N-(2-ethenyl-3-methylpentyl)ethanimine
CID 91222977
2-ethyl-N,3-dimethylhex-5-en-1-imine
CID 91337610
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
CID 123260408
N-(2-ethylbutyl)oct-7-en-1-imine
CID 123442282
5-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 123643168
3-ethyl-N-hexan-2-ylhex-5-en-1-imine
CID 123780094
N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine
CID 167231130
3-Prop-2-enyl-2,3,4,5-tetrahydropyridine
CID 173283580
1-(4-ethenylcyclohexyl)-N-[6-(methylideneamino)hexyl]methanimine
CID 177273621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine?
The IUPAC name of N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine (CID 123715391) is N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine.
What is the SMILES notation for N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine?
The canonical SMILES for N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine is C=CCCCC(C/C=N/CC)CN=S.
What is the InChIKey of N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine?
The InChIKey is WQBVZLZUOCDROS-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-5-6-7-11(10-13-14)8-9-12-4-2/h3,9,11H,1,4-8,10H2,2H3/b12-9+.
What are the key properties of N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine?
N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine has a molecular weight of 212.36 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(thionitrosomethyl)oct-7-en-1-imine is sourced from PubChem (CID 123715391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).