(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine

C11H23NO2 — CID 14658340

IUPAC(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)COCOC
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyGBJCDXBRVADOIT-YRNVUSSQSA-N
MW201.31 g/mol
LogP1.89
Rot. Bonds8

About (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine

(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine (PubChem CID 14658340) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine
PubChem CID14658340
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine
SMILESCCN(CC)C/C=C(\C)COCOC
InChIInChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7H,5-6,8-10H2,1-4H3/b11-7+
InChIKeyGBJCDXBRVADOIT-YRNVUSSQSA-N
XLogP1.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine (CID 14658340) is (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine is CCN(CC)C/C=C(\C)COCOC.
What is the InChIKey of (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine?
The InChIKey is GBJCDXBRVADOIT-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-12(6-2)8-7-11(3)9-14-10-13-4/h7H,5-6,8-10H2,1-4H3/b11-7+.
What are the key properties of (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine?
(E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-4-(methoxymethoxy)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 14658340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).