2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H21NO2 — CID 103074796

IUPAC2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CCOC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-6-10(3)7-14-11-4-5-13-8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyQHOFDKGUYBIXOW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

About 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074796) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074796
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CCOC1
InChIInChI=1S/C11H21NO2/c1-9(2)12-6-10(3)7-14-11-4-5-13-8-11/h9,11-12H,3-8H2,1-2H3
InChIKeyQHOFDKGUYBIXOW-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

2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
2-(2-ethoxyethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074370
N-[2-(2-ethoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074371
2-(2-ethoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074372
N-tert-butyl-2-(2-ethoxyethoxymethyl)prop-2-en-1-amine
CID 103074373
2-(2-ethoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074374
N-ethyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
CID 103074415
N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
2-(2-methoxyethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074417
N-tert-butyl-2-(2-methoxyethoxymethyl)prop-2-en-1-amine
CID 103074418
2-(2-methoxyethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074419
N-propan-2-yl-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 103074436

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074796) is 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is QHOFDKGUYBIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12-6-10(3)7-14-11-4-5-13-8-11/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-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 2-(oxolan-3-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).