5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane

C9H16N2 — CID 166489027

IUPAC5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
SMILESCN1CC(N2CC3(CC3)C2)C1
InChIInChI=1S/C9H16N2/c1-10-4-8(5-10)11-6-9(7-11)2-3-9/h8H,2-7H2,1H3
InChIKeyLPDULRSFRMFCLQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.40
Rot. Bonds1

About 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane

5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane (PubChem CID 166489027) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
PubChem CID166489027
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
SMILESCN1CC(N2CC3(CC3)C2)C1
InChIInChI=1S/C9H16N2/c1-10-4-8(5-10)11-6-9(7-11)2-3-9/h8H,2-7H2,1H3
InChIKeyLPDULRSFRMFCLQ-UHFFFAOYSA-N
XLogP0.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane?
The IUPAC name of 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane (CID 166489027) is 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane.
What is the SMILES notation for 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane?
The canonical SMILES for 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane is CN1CC(N2CC3(CC3)C2)C1.
What is the InChIKey of 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane?
The InChIKey is LPDULRSFRMFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-4-8(5-10)11-6-9(7-11)2-3-9/h8H,2-7H2,1H3.
What are the key properties of 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane?
5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane has a molecular weight of 152.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane is sourced from PubChem (CID 166489027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).