2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine

C13H25NO2 — CID 106206326

IUPAC2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CC(CCOCCNCC2CCCO2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(4-1)6-9-15-10-7-14-11-13-5-2-8-16-13/h12-14H,1-11H2
InChIKeyGPMIXLZKDVKAEG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds8

About 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine

2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 106206326) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID106206326
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CC(CCOCCNCC2CCCO2)C1
InChIInChI=1S/C13H25NO2/c1-3-12(4-1)6-9-15-10-7-14-11-13-5-2-8-16-13/h12-14H,1-11H2
InChIKeyGPMIXLZKDVKAEG-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
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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Related Compounds

N-(oxolan-2-ylmethyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82957862
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
2-(2-methylpentoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 103285818

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine (CID 106206326) is 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine is C1CC(CCOCCNCC2CCCO2)C1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is GPMIXLZKDVKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-12(4-1)6-9-15-10-7-14-11-13-5-2-8-16-13/h12-14H,1-11H2.
What are the key properties of 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine?
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 106206326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).