2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine

C11H21NO3 — CID 106401954

IUPAC2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCOCO1
InChIInChI=1S/C11H21NO3/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-15-11/h2,11-12H,1,3-10H2
InChIKeyFOWUFOWSUUUHHO-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.93
Rot. Bonds8

About 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine

2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine (PubChem CID 106401954) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
PubChem CID106401954
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCOCO1
InChIInChI=1S/C11H21NO3/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-15-11/h2,11-12H,1,3-10H2
InChIKeyFOWUFOWSUUUHHO-UHFFFAOYSA-N
XLogP0.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095209
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
CID 81101551
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62443251
5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
CID 106401472
N-(1,3-dioxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 81100973
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
N-[3-(1,3-dioxan-4-ylmethylamino)propyl]methanesulfonamide
CID 106336749
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine (CID 106401954) is 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine is C=CCCOCCNCC1CCOCO1.
What is the InChIKey of 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine?
The InChIKey is FOWUFOWSUUUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-6-13-8-5-12-9-11-4-7-14-10-15-11/h2,11-12H,1,3-10H2.
What are the key properties of 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine?
2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine has a molecular weight of 215.29 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 106401954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).