1,3-dimethyl-2-azabicyclo[2.1.1]hexane

C7H13N — CID 149494473

IUPAC1,3-dimethyl-2-azabicyclo[2.1.1]hexane
SMILESCC1NC2(C)CC1C2
InChIInChI=1S/C7H13N/c1-5-6-3-7(2,4-6)8-5/h5-6,8H,3-4H2,1-2H3
InChIKeyZFSUZUBHFYZTIV-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 1,3-dimethyl-2-azabicyclo[2.1.1]hexane

1,3-dimethyl-2-azabicyclo[2.1.1]hexane (PubChem CID 149494473) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,3-dimethyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1,3-dimethyl-2-azabicyclo[2.1.1]hexane
PubChem CID149494473
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,3-dimethyl-2-azabicyclo[2.1.1]hexane
SMILESCC1NC2(C)CC1C2
InChIInChI=1S/C7H13N/c1-5-6-3-7(2,4-6)8-5/h5-6,8H,3-4H2,1-2H3
InChIKeyZFSUZUBHFYZTIV-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1,3-dimethyl-2-azabicyclo[2.1.1]hexane (CID 149494473) is 1,3-dimethyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1,3-dimethyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1,3-dimethyl-2-azabicyclo[2.1.1]hexane is CC1NC2(C)CC1C2.
What is the InChIKey of 1,3-dimethyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is ZFSUZUBHFYZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6-3-7(2,4-6)8-5/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-azabicyclo[2.1.1]hexane?
1,3-dimethyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 149494473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).