1-propan-2-yl-2-azabicyclo[2.1.1]hexane

C8H15N — CID 117272743

IUPAC1-propan-2-yl-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C12CC(CN1)C2
InChIInChI=1S/C8H15N/c1-6(2)8-3-7(4-8)5-9-8/h6-7,9H,3-5H2,1-2H3
InChIKeyPHBRHQDHFSRJMR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.39
Rot. Bonds1

About 1-propan-2-yl-2-azabicyclo[2.1.1]hexane

1-propan-2-yl-2-azabicyclo[2.1.1]hexane (PubChem CID 117272743) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-propan-2-yl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-propan-2-yl-2-azabicyclo[2.1.1]hexane
PubChem CID117272743
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-propan-2-yl-2-azabicyclo[2.1.1]hexane
SMILESCC(C)C12CC(CN1)C2
InChIInChI=1S/C8H15N/c1-6(2)8-3-7(4-8)5-9-8/h6-7,9H,3-5H2,1-2H3
InChIKeyPHBRHQDHFSRJMR-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-propan-2-yl-2-azabicyclo[2.1.1]hexane (CID 117272743) is 1-propan-2-yl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-propan-2-yl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-propan-2-yl-2-azabicyclo[2.1.1]hexane is CC(C)C12CC(CN1)C2.
What is the InChIKey of 1-propan-2-yl-2-azabicyclo[2.1.1]hexane?
The InChIKey is PHBRHQDHFSRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-3-7(4-8)5-9-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-azabicyclo[2.1.1]hexane?
1-propan-2-yl-2-azabicyclo[2.1.1]hexane has a molecular weight of 125.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 117272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).