3-(2-methylpentan-2-yl)azetidine

C9H19N — CID 167096507

IUPAC3-(2-methylpentan-2-yl)azetidine
SMILESCCCC(C)(C)C1CNC1
InChIInChI=1S/C9H19N/c1-4-5-9(2,3)8-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeyAPJYXQWHKCZBEP-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-methylpentan-2-yl)azetidine

3-(2-methylpentan-2-yl)azetidine (PubChem CID 167096507) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-(2-methylpentan-2-yl)azetidine.

Molecular Properties

Compound Name3-(2-methylpentan-2-yl)azetidine
PubChem CID167096507
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-(2-methylpentan-2-yl)azetidine
SMILESCCCC(C)(C)C1CNC1
InChIInChI=1S/C9H19N/c1-4-5-9(2,3)8-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeyAPJYXQWHKCZBEP-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-yl)azetidine?
The IUPAC name of 3-(2-methylpentan-2-yl)azetidine (CID 167096507) is 3-(2-methylpentan-2-yl)azetidine.
What is the SMILES notation for 3-(2-methylpentan-2-yl)azetidine?
The canonical SMILES for 3-(2-methylpentan-2-yl)azetidine is CCCC(C)(C)C1CNC1.
What is the InChIKey of 3-(2-methylpentan-2-yl)azetidine?
The InChIKey is APJYXQWHKCZBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-9(2,3)8-6-10-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2-methylpentan-2-yl)azetidine?
3-(2-methylpentan-2-yl)azetidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-yl)azetidine is sourced from PubChem (CID 167096507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).