4-(methoxymethoxy)-N-methylbut-1-en-2-amine

C7H15NO2 — CID 118494860

IUPAC4-(methoxymethoxy)-N-methylbut-1-en-2-amine
SMILESC=C(CCOCOC)NC
InChIInChI=1S/C7H15NO2/c1-7(8-2)4-5-10-6-9-3/h8H,1,4-6H2,2-3H3
InChIKeyVJEKYNQOBNMYKG-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.73
Rot. Bonds6

About 4-(methoxymethoxy)-N-methylbut-1-en-2-amine

4-(methoxymethoxy)-N-methylbut-1-en-2-amine (PubChem CID 118494860) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(methoxymethoxy)-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name4-(methoxymethoxy)-N-methylbut-1-en-2-amine
PubChem CID118494860
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(methoxymethoxy)-N-methylbut-1-en-2-amine
SMILESC=C(CCOCOC)NC
InChIInChI=1S/C7H15NO2/c1-7(8-2)4-5-10-6-9-3/h8H,1,4-6H2,2-3H3
InChIKeyVJEKYNQOBNMYKG-UHFFFAOYSA-N
XLogP0.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-N-methylbut-1-en-2-amine?
The IUPAC name of 4-(methoxymethoxy)-N-methylbut-1-en-2-amine (CID 118494860) is 4-(methoxymethoxy)-N-methylbut-1-en-2-amine.
What is the SMILES notation for 4-(methoxymethoxy)-N-methylbut-1-en-2-amine?
The canonical SMILES for 4-(methoxymethoxy)-N-methylbut-1-en-2-amine is C=C(CCOCOC)NC.
What is the InChIKey of 4-(methoxymethoxy)-N-methylbut-1-en-2-amine?
The InChIKey is VJEKYNQOBNMYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(8-2)4-5-10-6-9-3/h8H,1,4-6H2,2-3H3.
What are the key properties of 4-(methoxymethoxy)-N-methylbut-1-en-2-amine?
4-(methoxymethoxy)-N-methylbut-1-en-2-amine has a molecular weight of 145.20 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-N-methylbut-1-en-2-amine is sourced from PubChem (CID 118494860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).