N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine

C28H54N2O2 — CID 54612409

IUPACN-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine
SMILESCCN(CC)OC/C=C(/C)CCC=C(C)C.CCN(CC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/2C14H27NO/c2*1-6-15(7-2)16-12-11-14(5)10-8-9-13(3)4/h2*9,11H,6-8,10,12H2,1-5H3/b14-11+;14-11-
InChIKeyLFNQTBBOCXMWJT-PENXIKRRSA-N
MW450.75 g/mol
LogP7.91
Rot. Bonds16

About N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine

N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine (PubChem CID 54612409) has the molecular formula C28H54N2O2 and a molecular weight of 450.75 g/mol. Its IUPAC name is N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine
PubChem CID54612409
Molecular FormulaC28H54N2O2
Molecular Weight450.75 g/mol
Exact Mass450.42
IUPAC NameN-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine
SMILESCCN(CC)OC/C=C(/C)CCC=C(C)C.CCN(CC)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/2C14H27NO/c2*1-6-15(7-2)16-12-11-14(5)10-8-9-13(3)4/h2*9,11H,6-8,10,12H2,1-5H3/b14-11+;14-11-
InChIKeyLFNQTBBOCXMWJT-PENXIKRRSA-N
XLogP7.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E)-1-[(E)-hept-1-enoxy]-3,7-dimethylocta-2,6-diene
CID 21082896
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane
CID 3017007

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine?
The IUPAC name of N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine (CID 54612409) is N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine.
What is the SMILES notation for N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine?
The canonical SMILES for N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine is CCN(CC)OC/C=C(/C)CCC=C(C)C.CCN(CC)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine?
The InChIKey is LFNQTBBOCXMWJT-PENXIKRRSA-N. The full InChI is InChI=1S/2C14H27NO/c2*1-6-15(7-2)16-12-11-14(5)10-8-9-13(3)4/h2*9,11H,6-8,10,12H2,1-5H3/b14-11+;14-11-.
What are the key properties of N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine?
N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine has a molecular weight of 450.75 g/mol, XLogP of 7.91, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine is sourced from PubChem (CID 54612409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).