4-methoxy-N,N-dimethylbut-1-en-2-amine

C7H15NO — CID 88583232

IUPAC4-methoxy-N,N-dimethylbut-1-en-2-amine
SMILESC=C(CCOC)N(C)C
InChIInChI=1S/C7H15NO/c1-7(8(2)3)5-6-9-4/h1,5-6H2,2-4H3
InChIKeyWQKUIXGNUVFOEC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.10
Rot. Bonds4

About 4-methoxy-N,N-dimethylbut-1-en-2-amine

4-methoxy-N,N-dimethylbut-1-en-2-amine (PubChem CID 88583232) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylbut-1-en-2-amine
PubChem CID88583232
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methoxy-N,N-dimethylbut-1-en-2-amine
SMILESC=C(CCOC)N(C)C
InChIInChI=1S/C7H15NO/c1-7(8(2)3)5-6-9-4/h1,5-6H2,2-4H3
InChIKeyWQKUIXGNUVFOEC-UHFFFAOYSA-N
XLogP1.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylbut-1-en-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethylbut-1-en-2-amine (CID 88583232) is 4-methoxy-N,N-dimethylbut-1-en-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethylbut-1-en-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethylbut-1-en-2-amine is C=C(CCOC)N(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethylbut-1-en-2-amine?
The InChIKey is WQKUIXGNUVFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(8(2)3)5-6-9-4/h1,5-6H2,2-4H3.
What are the key properties of 4-methoxy-N,N-dimethylbut-1-en-2-amine?
4-methoxy-N,N-dimethylbut-1-en-2-amine has a molecular weight of 129.20 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylbut-1-en-2-amine is sourced from PubChem (CID 88583232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).