4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine

C9H19NO2 — CID 142359165

IUPAC4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine
SMILESC=C(CCOC)N(C)CCOC
InChIInChI=1S/C9H19NO2/c1-9(5-7-11-3)10(2)6-8-12-4/h1,5-8H2,2-4H3
InChIKeyMHURUGRVDCIRDQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds7

About 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine

4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine (PubChem CID 142359165) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine
PubChem CID142359165
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine
SMILESC=C(CCOC)N(C)CCOC
InChIInChI=1S/C9H19NO2/c1-9(5-7-11-3)10(2)6-8-12-4/h1,5-8H2,2-4H3
InChIKeyMHURUGRVDCIRDQ-UHFFFAOYSA-N
XLogP1.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine (CID 142359165) is 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine is C=C(CCOC)N(C)CCOC.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine?
The InChIKey is MHURUGRVDCIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(5-7-11-3)10(2)6-8-12-4/h1,5-8H2,2-4H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine?
4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine has a molecular weight of 173.26 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine is sourced from PubChem (CID 142359165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).