(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine

C16H29NS — CID 172567418

IUPAC(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine
SMILESCCCC/C=C(C)\C(=N/C)C(=C\CCSC)\CC
InChIInChI=1S/C16H29NS/c1-6-8-9-11-14(3)16(17-4)15(7-2)12-10-13-18-5/h11-12H,6-10,13H2,1-5H3/b14-11-,15-12+,17-16+
InChIKeySYBNRVGWAKTQMJ-PCEPNREMSA-N
MW267.48 g/mol
LogP5.28
Rot. Bonds9

About (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine

(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine (PubChem CID 172567418) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine.

Molecular Properties

Compound Name(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine
PubChem CID172567418
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine
SMILESCCCC/C=C(C)\C(=N/C)C(=C\CCSC)\CC
InChIInChI=1S/C16H29NS/c1-6-8-9-11-14(3)16(17-4)15(7-2)12-10-13-18-5/h11-12H,6-10,13H2,1-5H3/b14-11-,15-12+,17-16+
InChIKeySYBNRVGWAKTQMJ-PCEPNREMSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.28
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'}

Analyze (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine with MolForge

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Related Compounds

3-ethyl-N-(ethylsulfanylmethyl)cyclohex-2-en-1-imine
CID 123547639
2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-lambda6-sulfane
CID 123611983
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine
CID 146488241
(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
CID 146590425
(4E,5Z)-2-ethenylsulfanyl-N-methyl-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 166770520
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
ethane;(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine;propane
CID 172567417
CID 173958438
CID 173958438
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734
(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
CID 143718079
N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228189

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine?
The IUPAC name of (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine (CID 172567418) is (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine.
What is the SMILES notation for (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine?
The canonical SMILES for (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine is CCCC/C=C(C)\C(=N/C)C(=C\CCSC)\CC.
What is the InChIKey of (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine?
The InChIKey is SYBNRVGWAKTQMJ-PCEPNREMSA-N. The full InChI is InChI=1S/C16H29NS/c1-6-8-9-11-14(3)16(17-4)15(7-2)12-10-13-18-5/h11-12H,6-10,13H2,1-5H3/b14-11-,15-12+,17-16+.
What are the key properties of (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine?
(3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine has a molecular weight of 267.48 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-4-ethyl-N,6-dimethyl-1-methylsulfanylundeca-3,6-dien-5-imine is sourced from PubChem (CID 172567418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).