3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine

C8H17NO2 — CID 91556171

IUPAC3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine
SMILESC=C(OCCOC)C(C)NC
InChIInChI=1S/C8H17NO2/c1-7(9-3)8(2)11-6-5-10-4/h7,9H,2,5-6H2,1,3-4H3
InChIKeyIMISKJFVXINJSO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.77
Rot. Bonds6

About 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine

3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine (PubChem CID 91556171) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine
PubChem CID91556171
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine
SMILESC=C(OCCOC)C(C)NC
InChIInChI=1S/C8H17NO2/c1-7(9-3)8(2)11-6-5-10-4/h7,9H,2,5-6H2,1,3-4H3
InChIKeyIMISKJFVXINJSO-UHFFFAOYSA-N
XLogP0.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine (CID 91556171) is 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine is C=C(OCCOC)C(C)NC.
What is the InChIKey of 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine?
The InChIKey is IMISKJFVXINJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(9-3)8(2)11-6-5-10-4/h7,9H,2,5-6H2,1,3-4H3.
What are the key properties of 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine?
3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine has a molecular weight of 159.23 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 91556171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).