1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine

C14H26N4 — CID 90909698

IUPAC1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine
SMILESCN1CC(C2CN(C3CNC3)C2C2CCN2C)C1
InChIInChI=1S/C14H26N4/c1-16-7-10(8-16)12-9-18(11-5-15-6-11)14(12)13-3-4-17(13)2/h10-15H,3-9H2,1-2H3
InChIKeyXOLLEZYIJKUEKY-UHFFFAOYSA-N
MW250.39 g/mol
LogP-0.48
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine

1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine (PubChem CID 90909698) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine
PubChem CID90909698
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine
SMILESCN1CC(C2CN(C3CNC3)C2C2CCN2C)C1
InChIInChI=1S/C14H26N4/c1-16-7-10(8-16)12-9-18(11-5-15-6-11)14(12)13-3-4-17(13)2/h10-15H,3-9H2,1-2H3
InChIKeyXOLLEZYIJKUEKY-UHFFFAOYSA-N
XLogP-0.48
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine?
The IUPAC name of 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine (CID 90909698) is 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine?
The canonical SMILES for 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine is CN1CC(C2CN(C3CNC3)C2C2CCN2C)C1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine?
The InChIKey is XOLLEZYIJKUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-16-7-10(8-16)12-9-18(11-5-15-6-11)14(12)13-3-4-17(13)2/h10-15H,3-9H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine?
1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine has a molecular weight of 250.39 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(1-methylazetidin-2-yl)-3-(1-methylazetidin-3-yl)azetidine is sourced from PubChem (CID 90909698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).