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

C12H23NO4 — CID 114032285

IUPAC2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
SMILESCOCCOC1C(N)CC1OCC1CCOC1
InChIInChI=1S/C12H23NO4/c1-14-4-5-16-12-10(13)6-11(12)17-8-9-2-3-15-7-9/h9-12H,2-8,13H2,1H3
InChIKeyBWFMKPQBISAMQD-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.17
Rot. Bonds7

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

2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine (PubChem CID 114032285) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
PubChem CID114032285
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
SMILESCOCCOC1C(N)CC1OCC1CCOC1
InChIInChI=1S/C12H23NO4/c1-14-4-5-16-12-10(13)6-11(12)17-8-9-2-3-15-7-9/h9-12H,2-8,13H2,1H3
InChIKeyBWFMKPQBISAMQD-UHFFFAOYSA-N
XLogP0.17
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxy-3-(oxolan-3-ylmethoxy)propan-1-amine
CID 63071407
3-(Oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 65983057
3-Methyl-1-(oxolan-3-yloxy)butan-2-amine
CID 80447248
2-Methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
CID 103176201
2-Ethoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-amine
CID 103176202
3-Methoxy-2-(oxolan-3-ylmethoxy)propan-1-amine
CID 103228594
2-Ethoxy-3-(2-methylpentoxy)cyclobutan-1-amine
CID 103286258
2-Methoxy-3-(2-methylpentoxy)cyclobutan-1-amine
CID 103286262
2-Ethoxy-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408072
2-Methoxy-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408097
3-(1-Ethoxypropan-2-yloxy)-2-methoxycyclobutan-1-amine
CID 103491341
2-Ethoxy-3-(1-ethoxypropan-2-yloxy)cyclobutan-1-amine
CID 103491342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine (CID 114032285) is 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine is COCCOC1C(N)CC1OCC1CCOC1.
What is the InChIKey of 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine?
The InChIKey is BWFMKPQBISAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-14-4-5-16-12-10(13)6-11(12)17-8-9-2-3-15-7-9/h9-12H,2-8,13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine?
2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 0.17, 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-(oxolan-3-ylmethoxy)cyclobutan-1-amine is sourced from PubChem (CID 114032285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).