(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine

C9H15NO2 — CID 89102283

IUPAC(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C(OC)/C(C)=C\C=C(/N)OC
InChIInChI=1S/C9H15NO2/c1-7(8(2)11-3)5-6-9(10)12-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-6+
InChIKeyDSYFZQZQQNXTDX-XCZNYUDNSA-N
MW169.22 g/mol
LogP1.54
Rot. Bonds4

About (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine

(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine (PubChem CID 89102283) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine
PubChem CID89102283
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C(OC)/C(C)=C\C=C(/N)OC
InChIInChI=1S/C9H15NO2/c1-7(8(2)11-3)5-6-9(10)12-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-6+
InChIKeyDSYFZQZQQNXTDX-XCZNYUDNSA-N
XLogP1.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.54
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 (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine (CID 89102283) is (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine is C=C(OC)/C(C)=C\C=C(/N)OC.
What is the InChIKey of (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine?
The InChIKey is DSYFZQZQQNXTDX-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(8(2)11-3)5-6-9(10)12-4/h5-6H,2,10H2,1,3-4H3/b7-5-,9-6+.
What are the key properties of (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine?
(1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1,5-dimethoxy-4-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89102283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).