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

C11H21NO2 — CID 103075084

IUPAC2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO2/c1-8(6-12)7-13-11-4-9(2)14-10(3)5-11/h9-11H,1,4-7,12H2,2-3H3
InChIKeyLTKKZXGCMAYJLD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds4

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

2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine (PubChem CID 103075084) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine
PubChem CID103075084
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO2/c1-8(6-12)7-13-11-4-9(2)14-10(3)5-11/h9-11H,1,4-7,12H2,2-3H3
InChIKeyLTKKZXGCMAYJLD-UHFFFAOYSA-N
XLogP1.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
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)prop-2-en-1-amine
CID 103074327
2-(Oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074452
N-methyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074453
2-(Octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074506
2-(Heptoxymethyl)prop-2-en-1-amine
CID 103074513
2-(Hexoxymethyl)prop-2-en-1-amine
CID 103074557
2-(Oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074689
N-methyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074690
2-[(3-Methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074789
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine
CID 103075080
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103075082
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103075085

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine (CID 103075084) is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine is C=C(CN)COC1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine?
The InChIKey is LTKKZXGCMAYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(6-12)7-13-11-4-9(2)14-10(3)5-11/h9-11H,1,4-7,12H2,2-3H3.
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine?
2-[(2,6-dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.47, 4 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]prop-2-en-1-amine is sourced from PubChem (CID 103075084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).