3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine

C9H19NO2 — CID 82706304

IUPAC3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NOC)C1(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-8-6-7(10-11-4)9(8,2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyVKVNYCVSJZYTLX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.34
Rot. Bonds4

About 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 82706304) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID82706304
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NOC)C1(C)C
InChIInChI=1S/C9H19NO2/c1-5-12-8-6-7(10-11-4)9(8,2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyVKVNYCVSJZYTLX-UHFFFAOYSA-N
XLogP1.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine (CID 82706304) is 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NOC)C1(C)C.
What is the InChIKey of 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is VKVNYCVSJZYTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-12-8-6-7(10-11-4)9(8,2)3/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 82706304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).