2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine

C10H19NO2 — CID 103074452

IUPAC2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC1CCCCO1
InChIInChI=1S/C10H19NO2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h10H,1-8,11H2
InChIKeyVDFYGBKTMTUEIH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds5

About 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine

2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (PubChem CID 103074452) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
PubChem CID103074452
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC1CCCCO1
InChIInChI=1S/C10H19NO2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h10H,1-8,11H2
InChIKeyVDFYGBKTMTUEIH-UHFFFAOYSA-N
XLogP1.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
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
N-ethyl-2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074447
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
2-(Oxan-4-yloxymethyl)prop-2-en-1-amine
CID 103074689
2-[(2,6-Dimethyloxan-4-yl)oxymethyl]prop-2-en-1-amine
CID 103075084

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine (CID 103074452) is 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine is C=C(CN)COCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
The InChIKey is VDFYGBKTMTUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(6-11)7-12-8-10-4-2-3-5-13-10/h10H,1-8,11H2.
What are the key properties of 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine?
2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).