(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine

C22H34N2 — CID 154979160

IUPAC(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=N/C=C(C)/C(C)=C/C=C/NC)CC/C(=C/C=C\CC)CC
InChIInChI=1S/C22H34N2/c1-7-9-10-13-22(8-2)15-14-19(3)17-24-18-21(5)20(4)12-11-16-23-6/h9-13,16-18,23H,3,7-8,14-15H2,1-2,4-6H3/b10-9-,16-11+,20-12+,21-18+,22-13+,24-17+
InChIKeyLBUANEBYNKEWLJ-ZAVRZKCKSA-N
MW326.53 g/mol
LogP6.28
Rot. Bonds11

About (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine

(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine (PubChem CID 154979160) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine
PubChem CID154979160
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=N/C=C(C)/C(C)=C/C=C/NC)CC/C(=C/C=C\CC)CC
InChIInChI=1S/C22H34N2/c1-7-9-10-13-22(8-2)15-14-19(3)17-24-18-21(5)20(4)12-11-16-23-6/h9-13,16-18,23H,3,7-8,14-15H2,1-2,4-6H3/b10-9-,16-11+,20-12+,21-18+,22-13+,24-17+
InChIKeyLBUANEBYNKEWLJ-ZAVRZKCKSA-N
XLogP6.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine (CID 154979160) is (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine is C=C(/C=N/C=C(C)/C(C)=C/C=C/NC)CC/C(=C/C=C\CC)CC.
What is the InChIKey of (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine?
The InChIKey is LBUANEBYNKEWLJ-ZAVRZKCKSA-N. The full InChI is InChI=1S/C22H34N2/c1-7-9-10-13-22(8-2)15-14-19(3)17-24-18-21(5)20(4)12-11-16-23-6/h9-13,16-18,23H,3,7-8,14-15H2,1-2,4-6H3/b10-9-,16-11+,20-12+,21-18+,22-13+,24-17+.
What are the key properties of (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine?
(1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine has a molecular weight of 326.53 g/mol, XLogP of 6.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-6-[[(5E,7Z)-5-ethyl-2-methylidenedeca-5,7-dienylidene]amino]-N,4,5-trimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 154979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).