2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine

C11H23NO2 — CID 103227724

IUPAC2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESC=CCCOC(CNC(C)C)COC
InChIInChI=1S/C11H23NO2/c1-5-6-7-14-11(9-13-4)8-12-10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyIBESNTBDNCFLFN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds9

About 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine

2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103227724) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103227724
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESC=CCCOC(CNC(C)C)COC
InChIInChI=1S/C11H23NO2/c1-5-6-7-14-11(9-13-4)8-12-10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeyIBESNTBDNCFLFN-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103227724) is 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine is C=CCCOC(CNC(C)C)COC.
What is the InChIKey of 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is IBESNTBDNCFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-6-7-14-11(9-13-4)8-12-10(2)3/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine?
2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).