2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine

C12H23NO2 — CID 103075085

IUPAC2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(7-13-4)8-14-12-5-10(2)15-11(3)6-12/h10-13H,1,5-8H2,2-4H3
InChIKeyQWBPSUBMDJYWQX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine

2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine (PubChem CID 103075085) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine
PubChem CID103075085
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO2/c1-9(7-13-4)8-14-12-5-10(2)15-11(3)6-12/h10-13H,1,5-8H2,2-4H3
InChIKeyQWBPSUBMDJYWQX-UHFFFAOYSA-N
XLogP1.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074447
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449
N-tert-butyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074450
2-(oxan-2-ylmethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074451
N-methyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074453
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
CID 103074505
N-methyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074507
2-(heptoxymethyl)-N-methylprop-2-en-1-amine
CID 103074514

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine (CID 103075085) is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine is C=C(CNC)COC1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine?
The InChIKey is QWBPSUBMDJYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(7-13-4)8-14-12-5-10(2)15-11(3)6-12/h10-13H,1,5-8H2,2-4H3.
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine?
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103075085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).