(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine

C12H21NO — CID 143423415

IUPAC(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)N(C)CC)OC
InChIInChI=1S/C12H21NO/c1-6-11(13(4)8-3)9-10-12(7-2)14-5/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,12-10+
InChIKeyAFXHIUHHTYCZQG-WGDLNXRISA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds6

About (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine

(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine (PubChem CID 143423415) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine
PubChem CID143423415
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)N(C)CC)OC
InChIInChI=1S/C12H21NO/c1-6-11(13(4)8-3)9-10-12(7-2)14-5/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,12-10+
InChIKeyAFXHIUHHTYCZQG-WGDLNXRISA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
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 (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?
The IUPAC name of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine (CID 143423415) is (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/CC)N(C)CC)OC.
What is the InChIKey of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?
The InChIKey is AFXHIUHHTYCZQG-WGDLNXRISA-N. The full InChI is InChI=1S/C12H21NO/c1-6-11(13(4)8-3)9-10-12(7-2)14-5/h7,9-10H,2,6,8H2,1,3-5H3/b11-9+,12-10+.
What are the key properties of (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine?
(3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-ethyl-6-methoxy-N-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 143423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).