(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine

C14H25NO — CID 54571566

IUPAC(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
SMILESCCN(C)C/C=C/C(=C/C(C)=C(C)C)OC
InChIInChI=1S/C14H25NO/c1-7-15(5)10-8-9-14(16-6)11-13(4)12(2)3/h8-9,11H,7,10H2,1-6H3/b9-8+,14-11-
InChIKeyZXQKAJXKTZRINF-LSHJULRISA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds6

About (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine

(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine (PubChem CID 54571566) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
PubChem CID54571566
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
SMILESCCN(C)C/C=C/C(=C/C(C)=C(C)C)OC
InChIInChI=1S/C14H25NO/c1-7-15(5)10-8-9-14(16-6)11-13(4)12(2)3/h8-9,11H,7,10H2,1-6H3/b9-8+,14-11-
InChIKeyZXQKAJXKTZRINF-LSHJULRISA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
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'}

Analyze (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine with MolForge

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Related Compounds

2-N-[(2E,4Z)-4-methoxy-6,7-dimethylocta-2,4,6-trienyl]-2-N-methylethane-1,1,2-triamine
CID 54346570
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239
(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
CID 129209911
(E)-4-[ethyl(methyl)amino]but-2-enoyl iodide
CID 118400736
(Z)-N-ethyl-N-methylpent-2-en-1-amine
CID 90249214
(E)-5-[ethyl(methyl)amino]-3-methylpent-3-en-2-one
CID 146512910
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
4-[ethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075837
(3E,5E)-5-methoxy-3-methylocta-3,5-diene
CID 143342080
methyl 2-[[(E)-4-(4-ethenylanilino)-4-oxobut-2-enyl]-methylamino]acetate
CID 144832754
4-[methyl(propyl)amino]but-2-enoic acid
CID 76941132
methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
CID 103249206

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine (CID 54571566) is (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine is CCN(C)C/C=C/C(=C/C(C)=C(C)C)OC.
What is the InChIKey of (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine?
The InChIKey is ZXQKAJXKTZRINF-LSHJULRISA-N. The full InChI is InChI=1S/C14H25NO/c1-7-15(5)10-8-9-14(16-6)11-13(4)12(2)3/h8-9,11H,7,10H2,1-6H3/b9-8+,14-11-.
What are the key properties of (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine?
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine is sourced from PubChem (CID 54571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).