(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine

C19H33NO — CID 134340796

IUPAC(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine
SMILESC=C/C(=C\CC(C)CC(C)C(=C(C)C)N(C=C)CC)OC
InChIInChI=1S/C19H33NO/c1-9-18(21-8)13-12-16(6)14-17(7)19(15(4)5)20(10-2)11-3/h9-10,13,16-17H,1-2,11-12,14H2,3-8H3/b18-13+
InChIKeySGJIJHHGYRROLH-QGOAFFKASA-N
MW291.48 g/mol
LogP5.51
Rot. Bonds10

About (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine

(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine (PubChem CID 134340796) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine.

Molecular Properties

Compound Name(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine
PubChem CID134340796
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine
SMILESC=C/C(=C\CC(C)CC(C)C(=C(C)C)N(C=C)CC)OC
InChIInChI=1S/C19H33NO/c1-9-18(21-8)13-12-16(6)14-17(7)19(15(4)5)20(10-2)11-3/h9-10,13,16-17H,1-2,11-12,14H2,3-8H3/b18-13+
InChIKeySGJIJHHGYRROLH-QGOAFFKASA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine?
The IUPAC name of (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine (CID 134340796) is (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine.
What is the SMILES notation for (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine?
The canonical SMILES for (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine is C=C/C(=C\CC(C)CC(C)C(=C(C)C)N(C=C)CC)OC.
What is the InChIKey of (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine?
The InChIKey is SGJIJHHGYRROLH-QGOAFFKASA-N. The full InChI is InChI=1S/C19H33NO/c1-9-18(21-8)13-12-16(6)14-17(7)19(15(4)5)20(10-2)11-3/h9-10,13,16-17H,1-2,11-12,14H2,3-8H3/b18-13+.
What are the key properties of (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine?
(8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine has a molecular weight of 291.48 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-N-ethenyl-N-ethyl-9-methoxy-2,4,6-trimethylundeca-2,8,10-trien-3-amine is sourced from PubChem (CID 134340796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).