2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine

C13H25NO4 — CID 114032274

IUPAC2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
SMILESCOCCOC1C(N)CC1OCC1CCCCO1
InChIInChI=1S/C13H25NO4/c1-15-6-7-17-13-11(14)8-12(13)18-9-10-4-2-3-5-16-10/h10-13H,2-9,14H2,1H3
InChIKeyIGQCRLZYGITMJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.70
Rot. Bonds7

About 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine

2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine (PubChem CID 114032274) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
PubChem CID114032274
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine
SMILESCOCCOC1C(N)CC1OCC1CCCCO1
InChIInChI=1S/C13H25NO4/c1-15-6-7-17-13-11(14)8-12(13)18-9-10-4-2-3-5-16-10/h10-13H,2-9,14H2,1H3
InChIKeyIGQCRLZYGITMJT-UHFFFAOYSA-N
XLogP0.70
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-ol
CID 114032146
2-methoxy-3-(oxolan-2-ylmethoxy)cyclobutan-1-amine
CID 104674491
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
2,2-dimethyl-5-(oxan-2-ylmethoxy)cyclopentan-1-amine
CID 79856841
2-(oxan-2-ylmethoxy)-4-phenylcyclohexan-1-amine
CID 43184028
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2-[(3-chlorocyclobutyl)oxymethyl]oxane
CID 66345100
2-(2-methoxyethoxy)-3-[2-(2-methylpropoxy)ethoxy]cyclobutan-1-amine
CID 114032306
2-(1,3-dimethoxypropan-2-yloxymethyl)oxane
CID 58593438
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine (CID 114032274) is 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine is COCCOC1C(N)CC1OCC1CCCCO1.
What is the InChIKey of 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine?
The InChIKey is IGQCRLZYGITMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-15-6-7-17-13-11(14)8-12(13)18-9-10-4-2-3-5-16-10/h10-13H,2-9,14H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine?
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-amine is sourced from PubChem (CID 114032274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).