2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane

C6H12N2 — CID 55287014

IUPAC2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane
SMILESCCC(C)N1C2NC21
InChIInChI=1S/C6H12N2/c1-3-4(2)8-5-6(8)7-5/h4-7H,3H2,1-2H3
InChIKeyGJCDLVYFTNPNTQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds2

About 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane

2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane (PubChem CID 55287014) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane
PubChem CID55287014
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane
SMILESCCC(C)N1C2NC21
InChIInChI=1S/C6H12N2/c1-3-4(2)8-5-6(8)7-5/h4-7H,3H2,1-2H3
InChIKeyGJCDLVYFTNPNTQ-UHFFFAOYSA-N
XLogP0.36
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The IUPAC name of 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane (CID 55287014) is 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane.
What is the SMILES notation for 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The canonical SMILES for 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane is CCC(C)N1C2NC21.
What is the InChIKey of 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The InChIKey is GJCDLVYFTNPNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4(2)8-5-6(8)7-5/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane?
2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane has a molecular weight of 112.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,4-diazabicyclo[1.1.0]butane is sourced from PubChem (CID 55287014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).