1-(6-cyclobutylhexyl)azetidine

C13H25N — CID 139396339

IUPAC1-(6-cyclobutylhexyl)azetidine
SMILESC(CCCN1CCC1)CCC1CCC1
InChIInChI=1S/C13H25N/c1(3-7-13-8-5-9-13)2-4-10-14-11-6-12-14/h13H,1-12H2
InChIKeyPJYJNMYKHYMJLJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.44
Rot. Bonds7

About 1-(6-cyclobutylhexyl)azetidine

1-(6-cyclobutylhexyl)azetidine (PubChem CID 139396339) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(6-cyclobutylhexyl)azetidine.

Molecular Properties

Compound Name1-(6-cyclobutylhexyl)azetidine
PubChem CID139396339
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(6-cyclobutylhexyl)azetidine
SMILESC(CCCN1CCC1)CCC1CCC1
InChIInChI=1S/C13H25N/c1(3-7-13-8-5-9-13)2-4-10-14-11-6-12-14/h13H,1-12H2
InChIKeyPJYJNMYKHYMJLJ-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-butyl-1-octylpiperidine
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3-butyl-1-dodecylpiperidine
CID 171569666
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine
CID 177262955
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
2-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]ethanol
CID 57255409
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclobutylhexyl)azetidine?
The IUPAC name of 1-(6-cyclobutylhexyl)azetidine (CID 139396339) is 1-(6-cyclobutylhexyl)azetidine.
What is the SMILES notation for 1-(6-cyclobutylhexyl)azetidine?
The canonical SMILES for 1-(6-cyclobutylhexyl)azetidine is C(CCCN1CCC1)CCC1CCC1.
What is the InChIKey of 1-(6-cyclobutylhexyl)azetidine?
The InChIKey is PJYJNMYKHYMJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1(3-7-13-8-5-9-13)2-4-10-14-11-6-12-14/h13H,1-12H2.
What are the key properties of 1-(6-cyclobutylhexyl)azetidine?
1-(6-cyclobutylhexyl)azetidine has a molecular weight of 195.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclobutylhexyl)azetidine is sourced from PubChem (CID 139396339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).