(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine

C11H21NO2 — CID 138546710

IUPAC(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine
SMILESCC/C=C(OC)\C(=C/CCNC)OC
InChIInChI=1S/C11H21NO2/c1-5-7-10(13-3)11(14-4)8-6-9-12-2/h7-8,12H,5-6,9H2,1-4H3/b10-7+,11-8+
InChIKeyXPYAEAQLCAKISE-AMMQDNIMSA-N
MW199.29 g/mol
LogP2.07
Rot. Bonds7

About (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine

(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine (PubChem CID 138546710) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine
PubChem CID138546710
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine
SMILESCC/C=C(OC)\C(=C/CCNC)OC
InChIInChI=1S/C11H21NO2/c1-5-7-10(13-3)11(14-4)8-6-9-12-2/h7-8,12H,5-6,9H2,1-4H3/b10-7+,11-8+
InChIKeyXPYAEAQLCAKISE-AMMQDNIMSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine?
The IUPAC name of (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine (CID 138546710) is (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine?
The canonical SMILES for (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine is CC/C=C(OC)\C(=C/CCNC)OC.
What is the InChIKey of (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine?
The InChIKey is XPYAEAQLCAKISE-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-10(13-3)11(14-4)8-6-9-12-2/h7-8,12H,5-6,9H2,1-4H3/b10-7+,11-8+.
What are the key properties of (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine?
(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine has a molecular weight of 199.29 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine is sourced from PubChem (CID 138546710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).