2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C13H25NO2 — CID 103074739

IUPAC2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(2)14-8-12(3)9-16-10-13-4-6-15-7-5-13/h11,13-14H,3-10H2,1-2H3
InChIKeyPSHIIXFZLCDHOK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds7

About 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074739) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074739
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC1CCOCC1
InChIInChI=1S/C13H25NO2/c1-11(2)14-8-12(3)9-16-10-13-4-6-15-7-5-13/h11,13-14H,3-10H2,1-2H3
InChIKeyPSHIIXFZLCDHOK-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.98
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

N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
2-(3-methylbutoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074384
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074534
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074538
N-[2-(4-methylpentoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074539
2-(4-methylpentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074540
N-tert-butyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074541
2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
CID 103074542
2-(pentoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074635
2-(oxan-4-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074686
2-(oxolan-3-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074693
2-(cyclohexylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074732

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074739) is 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is PSHIIXFZLCDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)14-8-12(3)9-16-10-13-4-6-15-7-5-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).