2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine

C11H21NS — CID 142912442

IUPAC2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine
SMILESCCSC(C)(/C=N/C=C(C)C)CC
InChIInChI=1S/C11H21NS/c1-6-11(5,13-7-2)9-12-8-10(3)4/h8-9H,6-7H2,1-5H3/b12-9+
InChIKeyRFUFDWWPIVDNRH-FMIVXFBMSA-N
MW199.36 g/mol
LogP3.90
Rot. Bonds5

About 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine

2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine (PubChem CID 142912442) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine.

Molecular Properties

Compound Name2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine
PubChem CID142912442
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine
SMILESCCSC(C)(/C=N/C=C(C)C)CC
InChIInChI=1S/C11H21NS/c1-6-11(5,13-7-2)9-12-8-10(3)4/h8-9H,6-7H2,1-5H3/b12-9+
InChIKeyRFUFDWWPIVDNRH-FMIVXFBMSA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-N-(2-methylprop-1-enyl)propanimidothioate
CID 123835011
2-Ethyl-2,6-dimethyl-1,4-thiazine
CID 144581900
N-[(Z)-2-methyl-3-propylsulfanylprop-1-enyl]ethanimine
CID 167223519
2,3,3-trimethyl-N-(2-methylprop-1-enyl)-2-methylsulfanylbutan-1-imine
CID 169626752

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine?
The IUPAC name of 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine (CID 142912442) is 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine.
What is the SMILES notation for 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine?
The canonical SMILES for 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine is CCSC(C)(/C=N/C=C(C)C)CC.
What is the InChIKey of 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine?
The InChIKey is RFUFDWWPIVDNRH-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21NS/c1-6-11(5,13-7-2)9-12-8-10(3)4/h8-9H,6-7H2,1-5H3/b12-9+.
What are the key properties of 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine?
2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine has a molecular weight of 199.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine is sourced from PubChem (CID 142912442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).