(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine

C7H15NO2 — CID 163602672

IUPAC(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine
SMILESCNC(C/C=C/OC)OC
InChIInChI=1S/C7H15NO2/c1-8-7(10-3)5-4-6-9-2/h4,6-8H,5H2,1-3H3/b6-4+
InChIKeyGYZVFTBZSPWSRV-GQCTYLIASA-N
MW145.20 g/mol
LogP0.73
Rot. Bonds5

About (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine

(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine (PubChem CID 163602672) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine
PubChem CID163602672
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine
SMILESCNC(C/C=C/OC)OC
InChIInChI=1S/C7H15NO2/c1-8-7(10-3)5-4-6-9-2/h4,6-8H,5H2,1-3H3/b6-4+
InChIKeyGYZVFTBZSPWSRV-GQCTYLIASA-N
XLogP0.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-Tetrahydro-1,3-oxazepine
CID 21487479
N-methyl-3,4-dihydro-2H-pyran-2-amine
CID 53420680
N-methyl-2,3-dihydrofuran-2-amine
CID 54454585
N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
CID 57163783
N,2-dimethyl-3H-furan-2-amine
CID 67655159
1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine
CID 121299843
1-[(E)-pent-1-enoxy]-N-[1-[(E)-pent-1-enoxy]ethyl]ethanamine
CID 121299854
N-ethyl-2,3-dihydrofuran-2-amine
CID 140339558
5-but-1-enoxy-2,3-dihydro-1H-pyrrole
CID 141242683
(E)-N-ethyl-4-methoxybut-3-en-1-amine
CID 142212519
N-[[(E)-prop-1-enoxy]methyl]ethanamine
CID 164147218
4-ethoxy-N-methylbut-3-en-1-amine
CID 173533985

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine?
The IUPAC name of (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine (CID 163602672) is (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine?
The canonical SMILES for (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine is CNC(C/C=C/OC)OC.
What is the InChIKey of (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine?
The InChIKey is GYZVFTBZSPWSRV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-7(10-3)5-4-6-9-2/h4,6-8H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine?
(E)-1,4-dimethoxy-N-methylbut-3-en-1-amine has a molecular weight of 145.20 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dimethoxy-N-methylbut-3-en-1-amine is sourced from PubChem (CID 163602672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).