3-cyclobutyl-3-methylazetidine

C8H15N — CID 155821013

IUPAC3-cyclobutyl-3-methylazetidine
SMILESCC1(C2CCC2)CNC1
InChIInChI=1S/C8H15N/c1-8(5-9-6-8)7-3-2-4-7/h7,9H,2-6H2,1H3
InChIKeyZLDXJEPQELNZAK-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.40
Rot. Bonds1

About 3-cyclobutyl-3-methylazetidine

3-cyclobutyl-3-methylazetidine (PubChem CID 155821013) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-cyclobutyl-3-methylazetidine.

Molecular Properties

Compound Name3-cyclobutyl-3-methylazetidine
PubChem CID155821013
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-cyclobutyl-3-methylazetidine
SMILESCC1(C2CCC2)CNC1
InChIInChI=1S/C8H15N/c1-8(5-9-6-8)7-3-2-4-7/h7,9H,2-6H2,1H3
InChIKeyZLDXJEPQELNZAK-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-methylazetidine?
The IUPAC name of 3-cyclobutyl-3-methylazetidine (CID 155821013) is 3-cyclobutyl-3-methylazetidine.
What is the SMILES notation for 3-cyclobutyl-3-methylazetidine?
The canonical SMILES for 3-cyclobutyl-3-methylazetidine is CC1(C2CCC2)CNC1.
What is the InChIKey of 3-cyclobutyl-3-methylazetidine?
The InChIKey is ZLDXJEPQELNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(5-9-6-8)7-3-2-4-7/h7,9H,2-6H2,1H3.
What are the key properties of 3-cyclobutyl-3-methylazetidine?
3-cyclobutyl-3-methylazetidine has a molecular weight of 125.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-methylazetidine is sourced from PubChem (CID 155821013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).