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

C11H23NO — CID 166967555

IUPAC4-methoxy-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOC)N(CCC)CCC
InChIInChI=1S/C11H23NO/c1-5-8-12(9-6-2)11(3)7-10-13-4/h3,5-10H2,1-2,4H3
InChIKeyYHVDGKPYBVIXIO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.66
Rot. Bonds8

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

4-methoxy-N,N-dipropylbut-1-en-2-amine (PubChem CID 166967555) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methoxy-N,N-dipropylbut-1-en-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dipropylbut-1-en-2-amine
PubChem CID166967555
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methoxy-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOC)N(CCC)CCC
InChIInChI=1S/C11H23NO/c1-5-8-12(9-6-2)11(3)7-10-13-4/h3,5-10H2,1-2,4H3
InChIKeyYHVDGKPYBVIXIO-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.66
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-dipropylbut-1-en-2-amine?
The IUPAC name of 4-methoxy-N,N-dipropylbut-1-en-2-amine (CID 166967555) is 4-methoxy-N,N-dipropylbut-1-en-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dipropylbut-1-en-2-amine?
The canonical SMILES for 4-methoxy-N,N-dipropylbut-1-en-2-amine is C=C(CCOC)N(CCC)CCC.
What is the InChIKey of 4-methoxy-N,N-dipropylbut-1-en-2-amine?
The InChIKey is YHVDGKPYBVIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8-12(9-6-2)11(3)7-10-13-4/h3,5-10H2,1-2,4H3.
What are the key properties of 4-methoxy-N,N-dipropylbut-1-en-2-amine?
4-methoxy-N,N-dipropylbut-1-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dipropylbut-1-en-2-amine is sourced from PubChem (CID 166967555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).