3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine

C12H21NO — CID 103393882

IUPAC3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine
SMILESCC1(C)CC(=C2CC(N)C2)C(C)(C)O1
InChIInChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)8-5-9(13)6-8/h9H,5-7,13H2,1-4H3/b10-8-
InChIKeyUCSFFAHHCPZODY-NTMALXAHSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds

About 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine

3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine (PubChem CID 103393882) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine
PubChem CID103393882
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine
SMILESCC1(C)CC(=C2CC(N)C2)C(C)(C)O1
InChIInChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)8-5-9(13)6-8/h9H,5-7,13H2,1-4H3/b10-8-
InChIKeyUCSFFAHHCPZODY-NTMALXAHSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine (CID 103393882) is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine is CC1(C)CC(=C2CC(N)C2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine?
The InChIKey is UCSFFAHHCPZODY-NTMALXAHSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)8-5-9(13)6-8/h9H,5-7,13H2,1-4H3/b10-8-.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine?
3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)cyclobutan-1-amine is sourced from PubChem (CID 103393882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).