(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine

C10H19NO2 — CID 137403708

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

About (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine

(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine (PubChem CID 137403708) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine
PubChem CID137403708
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine
SMILESCNC/C(=C/C=C(\C)OC)COC
InChIInChI=1S/C10H19NO2/c1-9(13-4)5-6-10(7-11-2)8-12-3/h5-6,11H,7-8H2,1-4H3/b9-5+,10-6-
InChIKeyYUXVYZWRXJRBLK-POQLCMLLSA-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(fluoromethoxymethyl)-N,5-dimethylhexa-2,4-dien-1-amine
CID 170112071
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
CID 134406077
(2E,4E)-5,6-dimethoxy-N,2-dimethylhepta-2,4,6-trien-1-amine
CID 142226977
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 142412370
(1E,3Z,5Z)-1,5-dimethoxyhepta-1,3,5-triene;N-methylbutan-1-amine
CID 144347606
(2E)-2-[(E)-2-methoxyethenyl]-N-[(1E,3E)-3-methoxyhexa-1,3,5-trienyl]penta-2,4-dien-1-amine
CID 153582579
(2Z,4Z)-2-ethenyl-3-methoxy-N-methylhexa-2,4-dien-1-amine
CID 153602353
ethane;(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 168947028
(Z)-N-[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]-N',2-dimethylprop-1-ene-1,3-diamine
CID 144526420
3-[(1E)-1-methoxy-3-methylbuta-1,3-dienyl]-4-methyl-2,5-dihydro-1H-pyrrole
CID 165410929
(2Z)-2-(1-methoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 168947029

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine (CID 137403708) is (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine is CNC/C(=C/C=C(\C)OC)COC.
What is the InChIKey of (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine?
The InChIKey is YUXVYZWRXJRBLK-POQLCMLLSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13-4)5-6-10(7-11-2)8-12-3/h5-6,11H,7-8H2,1-4H3/b9-5+,10-6-.
What are the key properties of (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine?
(2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-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 (2Z,4E)-5-methoxy-2-(methoxymethyl)-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 137403708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).