2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C12H21NO2 — CID 107095209

IUPAC2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-2-3-8-14-10-7-13-11-12-6-4-5-9-15-12/h2,5,9,12-13H,1,3-4,6-8,10-11H2
InChIKeyVPDAZHTZAYOEFC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds8

About 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 107095209) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID107095209
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESC=CCCOCCNCC1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-2-3-8-14-10-7-13-11-12-6-4-5-9-15-12/h2,5,9,12-13H,1,3-4,6-8,10-11H2
InChIKeyVPDAZHTZAYOEFC-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
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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Related Compounds

2-but-3-enoxy-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 106401954
methyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
CID 62065434
3-cyclopentyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
CID 107094618
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
N-[[5-(but-3-enoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62443251
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720114
5-[(2-but-3-enoxyethylamino)methyl]pyrrolidin-2-one
CID 106401472
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylethanesulfonamide
CID 107094808
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 107095396
[(2S)-3,4-dihydro-2H-pyran-2-yl]methylazanium
CID 51382635

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 107095209) is 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is C=CCCOCCNCC1CCC=CO1.
What is the InChIKey of 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is VPDAZHTZAYOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-8-14-10-7-13-11-12-6-4-5-9-15-12/h2,5,9,12-13H,1,3-4,6-8,10-11H2.
What are the key properties of 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 107095209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).