2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane

C8H15N — CID 123546464

IUPAC2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane
SMILESCC(C)C1(C)N2CC21C
InChIInChI=1S/C8H15N/c1-6(2)8(4)7(3)5-9(7)8/h6H,5H2,1-4H3
InChIKeyOSXCPKDQLOQNKU-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.49
Rot. Bonds1

About 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane

2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane (PubChem CID 123546464) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane
PubChem CID123546464
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane
SMILESCC(C)C1(C)N2CC21C
InChIInChI=1S/C8H15N/c1-6(2)8(4)7(3)5-9(7)8/h6H,5H2,1-4H3
InChIKeyOSXCPKDQLOQNKU-UHFFFAOYSA-N
XLogP1.49
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane?
The IUPAC name of 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane (CID 123546464) is 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane is CC(C)C1(C)N2CC21C.
What is the InChIKey of 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane?
The InChIKey is OSXCPKDQLOQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8(4)7(3)5-9(7)8/h6H,5H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane?
2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane has a molecular weight of 125.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propan-2-yl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 123546464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).