2,2,3-trimethyl-1-azabicyclo[1.1.0]butane

C6H11N — CID 123182045

IUPAC2,2,3-trimethyl-1-azabicyclo[1.1.0]butane
SMILESCC1(C)N2CC21C
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7(5)6/h4H2,1-3H3
InChIKeyJIJPQVSAVWSYBP-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.85
Rot. Bonds

About 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane

2,2,3-trimethyl-1-azabicyclo[1.1.0]butane (PubChem CID 123182045) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,2,3-trimethyl-1-azabicyclo[1.1.0]butane
PubChem CID123182045
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2,2,3-trimethyl-1-azabicyclo[1.1.0]butane
SMILESCC1(C)N2CC21C
InChIInChI=1S/C6H11N/c1-5(2)6(3)4-7(5)6/h4H2,1-3H3
InChIKeyJIJPQVSAVWSYBP-UHFFFAOYSA-N
XLogP0.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane
CID 123546464
2,2,3,3,4,5,5,6,6,7,8,8,9,9,11,11,12,12-octadecamethyl-1,4,7,10-tetrazabicyclo[8.2.1]tridecane
CID 59865453
2,2,3,3,4,5,5,6,6,8,8,9,9,10,11,11,12,12-octadecamethyl-1,4,7,10-tetrazabicyclo[5.5.1]tridecane
CID 59865421
1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane
CID 20702447
1,2,2,4,4,6,8,8,9,9-decamethyl-1,6-diaza-4,9-diazoniaspiro[4.4]nonane
CID 162281660
methane;bis(1,2,2,3,3,4,4,5,5-nonamethylpyrrolidine)
CID 159896810
1,2,2,3,3,4,4,5,5,6,6,7,7-tridecamethylazepane
CID 58319374
1-chloro-2,2,3,3-tetramethylaziridine
CID 12568316
3-deuterio-1,1,2,2-tetramethylcyclopropane
CID 175977132
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
CID 4702161
3-fluoro-1,3-dimethylazetidine
CID 89296536
1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
CID 69033861

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane?
The IUPAC name of 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane (CID 123182045) is 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane is CC1(C)N2CC21C.
What is the InChIKey of 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane?
The InChIKey is JIJPQVSAVWSYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6(3)4-7(5)6/h4H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane?
2,2,3-trimethyl-1-azabicyclo[1.1.0]butane has a molecular weight of 97.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 123182045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).