3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine

C11H19NS — CID 123547639

IUPAC3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine
SMILESCCSCN=C1C=C(CC)CCC1
InChIInChI=1S/C11H19NS/c1-3-10-6-5-7-11(8-10)12-9-13-4-2/h8H,3-7,9H2,1-2H3
InChIKeyJTVKREREJWXBIM-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.66
Rot. Bonds4

About 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine

3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine (PubChem CID 123547639) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine
PubChem CID123547639
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine
SMILESCCSCN=C1C=C(CC)CCC1
InChIInChI=1S/C11H19NS/c1-3-10-6-5-7-11(8-10)12-9-13-4-2/h8H,3-7,9H2,1-2H3
InChIKeyJTVKREREJWXBIM-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-pentyl-4-prop-2-enyl-2H-1,3-thiazine
CID 174667244
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734
(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine
CID 172567418

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine?
The IUPAC name of 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine (CID 123547639) is 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine?
The canonical SMILES for 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine is CCSCN=C1C=C(CC)CCC1.
What is the InChIKey of 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine?
The InChIKey is JTVKREREJWXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-10-6-5-7-11(8-10)12-9-13-4-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine?
3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine has a molecular weight of 197.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123547639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).