N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine

C11H21NO2 — CID 103074684

IUPACN-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-12-8-10(2)9-14-11-4-6-13-7-5-11/h11-12H,2-9H2,1H3
InChIKeyXKWSQFYGICRPQI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

About N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine

N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074684) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
PubChem CID103074684
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-12-8-10(2)9-14-11-4-6-13-7-5-11/h11-12H,2-9H2,1H3
InChIKeyXKWSQFYGICRPQI-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
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

4-(2-Methylallyloxy)piperidine
CID 26191682
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
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-tert-butyl-2-(cyclopentyloxymethyl)prop-2-en-1-amine
CID 103074332
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
2-(cyclopentyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074335
N-ethyl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 103074434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine (CID 103074684) is N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine is C=C(CNCC)COC1CCOCC1.
What is the InChIKey of N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
The InChIKey is XKWSQFYGICRPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12-8-10(2)9-14-11-4-6-13-7-5-11/h11-12H,2-9H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine?
N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).