2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane

C10H19N — CID 123267780

IUPAC2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane
SMILESCC(C)C(C)C1(C)C2C(C)N21
InChIInChI=1S/C10H19N/c1-6(2)7(3)10(5)9-8(4)11(9)10/h6-9H,1-5H3
InChIKeyHQVIZRKBLYTWQW-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.12
Rot. Bonds2

About 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane

2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane (PubChem CID 123267780) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane
PubChem CID123267780
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane
SMILESCC(C)C(C)C1(C)C2C(C)N21
InChIInChI=1S/C10H19N/c1-6(2)7(3)10(5)9-8(4)11(9)10/h6-9H,1-5H3
InChIKeyHQVIZRKBLYTWQW-UHFFFAOYSA-N
XLogP2.12
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.12
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 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane?
The IUPAC name of 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane (CID 123267780) is 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane is CC(C)C(C)C1(C)C2C(C)N21.
What is the InChIKey of 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane?
The InChIKey is HQVIZRKBLYTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6(2)7(3)10(5)9-8(4)11(9)10/h6-9H,1-5H3.
What are the key properties of 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane?
2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane has a molecular weight of 153.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(3-methylbutan-2-yl)-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 123267780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).