(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine

C9H15NO2 — CID 142173882

IUPAC(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C(/OC)C(=C)OC)CN
InChIInChI=1S/C9H15NO2/c1-7(6-10)5-9(12-4)8(2)11-3/h5H,1-2,6,10H2,3-4H3/b9-5+
InChIKeyNJCKKAZPJFTBTR-WEVVVXLNSA-N
MW169.22 g/mol
LogP1.19
Rot. Bonds5

About (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine

(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 142173882) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine
PubChem CID142173882
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C(/OC)C(=C)OC)CN
InChIInChI=1S/C9H15NO2/c1-7(6-10)5-9(12-4)8(2)11-3/h5H,1-2,6,10H2,3-4H3/b9-5+
InChIKeyNJCKKAZPJFTBTR-WEVVVXLNSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.19
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

(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(3Z)-5-methoxy-3-methylhexa-3,5-dien-2-amine
CID 89139574
(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 89210523
(6-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 89270761
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
(3-Methoxycyclopenta-1,3-dien-1-yl)methanamine
CID 124095459
(2Z,4E)-4-methoxyhepta-2,4-dien-1-amine
CID 130239384
(E)-3-methoxy-2-methylidenepent-3-en-1-amine
CID 130357353
(2,4-Dimethoxycyclohepta-1,3,5-trien-1-yl)methanamine
CID 132037333
(3E)-5-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 138569828
(5-Methoxycyclohepta-1,4,6-trien-1-yl)methanamine
CID 142009223

Frequently Asked Questions

What is the IUPAC name of (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine (CID 142173882) is (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine is C=C(/C=C(/OC)C(=C)OC)CN.
What is the InChIKey of (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is NJCKKAZPJFTBTR-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(6-10)5-9(12-4)8(2)11-3/h5H,1-2,6,10H2,3-4H3/b9-5+.
What are the key properties of (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine?
(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 142173882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).