3-tert-butyl-1-cyclohexylazetidine

C13H25N — CID 122606400

IUPAC3-tert-butyl-1-cyclohexylazetidine
SMILESCC(C)(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C13H25N/c1-13(2,3)11-9-14(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyXTQLSAYVNLOOGD-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds1

About 3-tert-butyl-1-cyclohexylazetidine

3-tert-butyl-1-cyclohexylazetidine (PubChem CID 122606400) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclohexylazetidine.

Molecular Properties

Compound Name3-tert-butyl-1-cyclohexylazetidine
PubChem CID122606400
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-tert-butyl-1-cyclohexylazetidine
SMILESCC(C)(C)C1CN(C2CCCCC2)C1
InChIInChI=1S/C13H25N/c1-13(2,3)11-9-14(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyXTQLSAYVNLOOGD-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclohexylazetidine?
The IUPAC name of 3-tert-butyl-1-cyclohexylazetidine (CID 122606400) is 3-tert-butyl-1-cyclohexylazetidine.
What is the SMILES notation for 3-tert-butyl-1-cyclohexylazetidine?
The canonical SMILES for 3-tert-butyl-1-cyclohexylazetidine is CC(C)(C)C1CN(C2CCCCC2)C1.
What is the InChIKey of 3-tert-butyl-1-cyclohexylazetidine?
The InChIKey is XTQLSAYVNLOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)11-9-14(10-11)12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-tert-butyl-1-cyclohexylazetidine?
3-tert-butyl-1-cyclohexylazetidine has a molecular weight of 195.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclohexylazetidine is sourced from PubChem (CID 122606400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).