(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine

C10H19NO2 — CID 155644440

IUPAC(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(NC)\C(=C/COC)COC
InChIInChI=1S/C10H19NO2/c1-5-10(11-2)9(8-13-4)6-7-12-3/h5-6,11H,7-8H2,1-4H3/b9-6-,10-5+
InChIKeyVASGTDYCTPJPDE-SCWCTGRGSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds6

About (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine

(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine (PubChem CID 155644440) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine
PubChem CID155644440
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(NC)\C(=C/COC)COC
InChIInChI=1S/C10H19NO2/c1-5-10(11-2)9(8-13-4)6-7-12-3/h5-6,11H,7-8H2,1-4H3/b9-6-,10-5+
InChIKeyVASGTDYCTPJPDE-SCWCTGRGSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine (CID 155644440) is (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine is C/C=C(NC)\C(=C/COC)COC.
What is the InChIKey of (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine?
The InChIKey is VASGTDYCTPJPDE-SCWCTGRGSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(11-2)9(8-13-4)6-7-12-3/h5-6,11H,7-8H2,1-4H3/b9-6-,10-5+.
What are the key properties of (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine?
(2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine has a molecular weight of 185.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methoxy-4-(methoxymethyl)-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 155644440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).