2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine

C12H23NO2 — CID 115908252

IUPAC2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCCOC1
InChIInChI=1S/C12H23NO2/c1-11(2)9-15-7-5-13-8-12-4-3-6-14-10-12/h12-13H,1,3-10H2,2H3
InChIKeyCURUFSOIJIMJOU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.60
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 115908252) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID115908252
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCCOC1
InChIInChI=1S/C12H23NO2/c1-11(2)9-15-7-5-13-8-12-4-3-6-14-10-12/h12-13H,1,3-10H2,2H3
InChIKeyCURUFSOIJIMJOU-UHFFFAOYSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.60
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

N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine (CID 115908252) is 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine is C=C(C)COCCNCC1CCCOC1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is CURUFSOIJIMJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)9-15-7-5-13-8-12-4-3-6-14-10-12/h12-13H,1,3-10H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 115908252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).