3-(2-methylpropyl)azetidine

C7H15N — CID 62313595

IUPAC3-(2-methylpropyl)azetidine
SMILESCC(C)CC1CNC1
InChIInChI=1S/C7H15N/c1-6(2)3-7-4-8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyQCGPDCBREKQOTK-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.25
Rot. Bonds2

About 3-(2-methylpropyl)azetidine

3-(2-methylpropyl)azetidine (PubChem CID 62313595) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-(2-methylpropyl)azetidine
PubChem CID62313595
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3-(2-methylpropyl)azetidine
SMILESCC(C)CC1CNC1
InChIInChI=1S/C7H15N/c1-6(2)3-7-4-8-5-7/h6-8H,3-5H2,1-2H3
InChIKeyQCGPDCBREKQOTK-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)azetidine?
The IUPAC name of 3-(2-methylpropyl)azetidine (CID 62313595) is 3-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-(2-methylpropyl)azetidine?
The canonical SMILES for 3-(2-methylpropyl)azetidine is CC(C)CC1CNC1.
What is the InChIKey of 3-(2-methylpropyl)azetidine?
The InChIKey is QCGPDCBREKQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6(2)3-7-4-8-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)azetidine?
3-(2-methylpropyl)azetidine has a molecular weight of 113.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)azetidine is sourced from PubChem (CID 62313595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).