3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane

C11H21N — CID 123658982

IUPAC3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane
SMILESCCC(CC)C(C)C12CN1C2C
InChIInChI=1S/C11H21N/c1-5-10(6-2)8(3)11-7-12(11)9(11)4/h8-10H,5-7H2,1-4H3
InChIKeyFYULSROERZQJBK-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane

3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane (PubChem CID 123658982) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane
PubChem CID123658982
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane
SMILESCCC(CC)C(C)C12CN1C2C
InChIInChI=1S/C11H21N/c1-5-10(6-2)8(3)11-7-12(11)9(11)4/h8-10H,5-7H2,1-4H3
InChIKeyFYULSROERZQJBK-UHFFFAOYSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane?
The IUPAC name of 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane (CID 123658982) is 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane.
What is the SMILES notation for 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane?
The canonical SMILES for 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane is CCC(CC)C(C)C12CN1C2C.
What is the InChIKey of 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane?
The InChIKey is FYULSROERZQJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-10(6-2)8(3)11-7-12(11)9(11)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane?
3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-yl)-2-methyl-1-azabicyclo[1.1.0]butane is sourced from PubChem (CID 123658982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).