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

C13H25NO2 — CID 103075080

IUPAC2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COC1CC(C)OC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-14-8-10(2)9-15-13-6-11(3)16-12(4)7-13/h11-14H,2,5-9H2,1,3-4H3
InChIKeyPHPSLQZNDJAXFD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.12
Rot. Bonds6

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

2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine (PubChem CID 103075080) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine
PubChem CID103075080
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COC1CC(C)OC(C)C1
InChIInChI=1S/C13H25NO2/c1-5-14-8-10(2)9-15-13-6-11(3)16-12(4)7-13/h11-14H,2,5-9H2,1,3-4H3
InChIKeyPHPSLQZNDJAXFD-UHFFFAOYSA-N
XLogP2.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.12
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-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-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine (CID 103075080) is 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)COC1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine?
The InChIKey is PHPSLQZNDJAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14-8-10(2)9-15-13-6-11(3)16-12(4)7-13/h11-14H,2,5-9H2,1,3-4H3.
What are the key properties of 2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine?
2-[(2,6-dimethyloxan-4-yl)oxymethyl]-N-ethylprop-2-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.12, 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-ethylprop-2-en-1-amine is sourced from PubChem (CID 103075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).