(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine

C8H13NO2 — CID 89143649

IUPAC(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(\C=C/N)OC
InChIInChI=1S/C8H13NO2/c1-4-7(10-2)8(11-3)5-6-9/h4-6H,1,9H2,2-3H3/b6-5-,8-7-
InChIKeyMTRGKKNJYGKNBU-ISTTXYCBSA-N
MW155.20 g/mol
LogP1.15
Rot. Bonds4

About (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine

(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine (PubChem CID 89143649) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine
PubChem CID89143649
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine
SMILESC=C/C(OC)=C(\C=C/N)OC
InChIInChI=1S/C8H13NO2/c1-4-7(10-2)8(11-3)5-6-9/h4-6H,1,9H2,2-3H3/b6-5-,8-7-
InChIKeyMTRGKKNJYGKNBU-ISTTXYCBSA-N
XLogP1.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine (CID 89143649) is (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine is C=C/C(OC)=C(\C=C/N)OC.
What is the InChIKey of (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine?
The InChIKey is MTRGKKNJYGKNBU-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7(10-2)8(11-3)5-6-9/h4-6H,1,9H2,2-3H3/b6-5-,8-7-.
What are the key properties of (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine?
(1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3,4-dimethoxyhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89143649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).