2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine

C11H23NO2 — CID 66351801

IUPAC2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine
SMILESCCCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-13-6-7-14-10-8-9(12)11(10,2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyUOFYXNMHXPNFOC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds6

About 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine

2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine (PubChem CID 66351801) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine
PubChem CID66351801
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine
SMILESCCCOCCOC1CC(N)C1(C)C
InChIInChI=1S/C11H23NO2/c1-4-5-13-6-7-14-10-8-9(12)11(10,2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyUOFYXNMHXPNFOC-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
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 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine (CID 66351801) is 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine is CCCOCCOC1CC(N)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine?
The InChIKey is UOFYXNMHXPNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-13-6-7-14-10-8-9(12)11(10,2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine?
2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propoxyethoxy)cyclobutan-1-amine is sourced from PubChem (CID 66351801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).