(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine

C13H24N2S — CID 143718079

IUPAC(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
SMILESC/C=C(C)\C(=N/CCSC)C(\C)=N\C(C)C
InChIInChI=1S/C13H24N2S/c1-7-11(4)13(14-8-9-16-6)12(5)15-10(2)3/h7,10H,8-9H2,1-6H3/b11-7-,14-13+,15-12+
InChIKeyDYVOEFZVKDIHFG-LLQVOYTESA-N
MW240.42 g/mol
LogP3.63
Rot. Bonds6

About (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine

(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine (PubChem CID 143718079) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine.

Molecular Properties

Compound Name(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
PubChem CID143718079
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
SMILESC/C=C(C)\C(=N/CCSC)C(\C)=N\C(C)C
InChIInChI=1S/C13H24N2S/c1-7-11(4)13(14-8-9-16-6)12(5)15-10(2)3/h7,10H,8-9H2,1-6H3/b11-7-,14-13+,15-12+
InChIKeyDYVOEFZVKDIHFG-LLQVOYTESA-N
XLogP3.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine with MolForge

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Related Compounds

(Z)-3-N-methyl-4-methylidene-2-N-[(Z)-2-methylidene-3-methylsulfanylpent-3-enyl]hept-5-ene-2,3-diimine
CID 117829412
(E,E)-N-(methylideneamino)-6-(methylsulfanylmethyl)oct-5-en-4-imine
CID 123177897
2-[(4Z)-4-ethylidene-2,3-dihydropyrrol-5-yl]ethyl-trimethyl-sulfanylidene-lambda6-sulfane
CID 123611983
3-[[(5Z)-2,5-dimethylhepta-2,5-dien-4-ylidene]amino]propane-1-thiol
CID 155053640
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine
CID 143331689
(Z)-5-[(Z)-but-2-en-2-yl]sulfanyl-3-ethyl-N-methylpent-3-en-2-imine
CID 143331734
(6Z)-4-[(Z)-2-ethenylsulfanyl-3-methyliminoprop-1-enyl]-6-ethylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 145557913
(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 (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine?
The IUPAC name of (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine (CID 143718079) is (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine.
What is the SMILES notation for (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine?
The canonical SMILES for (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine is C/C=C(C)\C(=N/CCSC)C(\C)=N\C(C)C.
What is the InChIKey of (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine?
The InChIKey is DYVOEFZVKDIHFG-LLQVOYTESA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-11(4)13(14-8-9-16-6)12(5)15-10(2)3/h7,10H,8-9H2,1-6H3/b11-7-,14-13+,15-12+.
What are the key properties of (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine?
(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine has a molecular weight of 240.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine is sourced from PubChem (CID 143718079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).