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

C14H27NO2 — CID 103075082

IUPAC2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CC(C)OC(C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)15-8-11(3)9-16-14-6-12(4)17-13(5)7-14/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKTOFPONHZPCABJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.51
Rot. Bonds6

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

2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103075082) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103075082
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CC(C)OC(C)C1
InChIInChI=1S/C14H27NO2/c1-10(2)15-8-11(3)9-16-14-6-12(4)17-13(5)7-14/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKTOFPONHZPCABJ-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine with MolForge

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Related Compounds

2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074447
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448
2-(oxan-2-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074449

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine (CID 103075082) is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is KTOFPONHZPCABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)15-8-11(3)9-16-14-6-12(4)17-13(5)7-14/h10,12-15H,3,6-9H2,1-2,4-5H3.
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.51, 6 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-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103075082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).