5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane

C11H20N2 — CID 131059636

IUPAC5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C1CN(C2C3CNC2C3)C1
InChIInChI=1S/C11H20N2/c1-7(2)9-5-13(6-9)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3
InChIKeyPPPJULMUHPRXRT-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.93
Rot. Bonds2

About 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane

5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane (PubChem CID 131059636) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
PubChem CID131059636
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C1CN(C2C3CNC2C3)C1
InChIInChI=1S/C11H20N2/c1-7(2)9-5-13(6-9)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3
InChIKeyPPPJULMUHPRXRT-UHFFFAOYSA-N
XLogP0.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane (CID 131059636) is 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane is CC(C)C1CN(C2C3CNC2C3)C1.
What is the InChIKey of 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is PPPJULMUHPRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)9-5-13(6-9)11-8-3-10(11)12-4-8/h7-12H,3-6H2,1-2H3.
What are the key properties of 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane?
5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 180.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 131059636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).