3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine

C9H19NO2 — CID 66357379

IUPAC3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C9H19NO2/c1-9(2)7(10)6-8(9)12-5-4-11-3/h7-8H,4-6,10H2,1-3H3
InChIKeyBJWBJTMBXCJMGW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds4

About 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine

3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357379) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66357379
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C9H19NO2/c1-9(2)7(10)6-8(9)12-5-4-11-3/h7-8H,4-6,10H2,1-3H3
InChIKeyBJWBJTMBXCJMGW-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 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 ≤ 50.78
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 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine (CID 66357379) is 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine is COCCOC1CC(N)C1(C)C.
What is the InChIKey of 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is BJWBJTMBXCJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)7(10)6-8(9)12-5-4-11-3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine?
3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).