[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine

C12H23NO2 — CID 106206016

IUPAC[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(COCCC2CCC2)O1
InChIInChI=1S/C12H23NO2/c13-8-11-4-5-12(15-11)9-14-7-6-10-2-1-3-10/h10-12H,1-9,13H2
InChIKeyURWNUUDIBOYUQP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds6

About [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine

[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine (PubChem CID 106206016) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine
PubChem CID106206016
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(COCCC2CCC2)O1
InChIInChI=1S/C12H23NO2/c13-8-11-4-5-12(15-11)9-14-7-6-10-2-1-3-10/h10-12H,1-9,13H2
InChIKeyURWNUUDIBOYUQP-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine (CID 106206016) is [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine is NCC1CCC(COCCC2CCC2)O1.
What is the InChIKey of [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is URWNUUDIBOYUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-8-11-4-5-12(15-11)9-14-7-6-10-2-1-3-10/h10-12H,1-9,13H2.
What are the key properties of [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine?
[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 106206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).