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

C5H10N2 — CID 55287012

IUPAC2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane
SMILESCC(C)N1C2NC21
InChIInChI=1S/C5H10N2/c1-3(2)7-4-5(7)6-4/h3-6H,1-2H3
InChIKeyQTEULPQJSPOLNI-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.03
Rot. Bonds1

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

2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane (PubChem CID 55287012) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane
PubChem CID55287012
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane
SMILESCC(C)N1C2NC21
InChIInChI=1S/C5H10N2/c1-3(2)7-4-5(7)6-4/h3-6H,1-2H3
InChIKeyQTEULPQJSPOLNI-UHFFFAOYSA-N
XLogP-0.03
TPSA24.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.03
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-propan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The IUPAC name of 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane (CID 55287012) is 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane.
What is the SMILES notation for 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The canonical SMILES for 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane is CC(C)N1C2NC21.
What is the InChIKey of 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane?
The InChIKey is QTEULPQJSPOLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3(2)7-4-5(7)6-4/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane?
2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane has a molecular weight of 98.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,4-diazabicyclo[1.1.0]butane is sourced from PubChem (CID 55287012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).