3-butan-2-yl-8-azabicyclo[3.2.1]octane

C11H21N — CID 89423739

IUPAC3-butan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC(C)C1CC2CCC(C1)N2
InChIInChI=1S/C11H21N/c1-3-8(2)9-6-10-4-5-11(7-9)12-10/h8-12H,3-7H2,1-2H3
InChIKeyVLBWGUJPARXSAO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds2

About 3-butan-2-yl-8-azabicyclo[3.2.1]octane

3-butan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 89423739) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-butan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-butan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID89423739
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-butan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCCC(C)C1CC2CCC(C1)N2
InChIInChI=1S/C11H21N/c1-3-8(2)9-6-10-4-5-11(7-9)12-10/h8-12H,3-7H2,1-2H3
InChIKeyVLBWGUJPARXSAO-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-butan-2-yl-8-azabicyclo[3.2.1]octane (CID 89423739) is 3-butan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-butan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-butan-2-yl-8-azabicyclo[3.2.1]octane is CCC(C)C1CC2CCC(C1)N2.
What is the InChIKey of 3-butan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is VLBWGUJPARXSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-8(2)9-6-10-4-5-11(7-9)12-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-butan-2-yl-8-azabicyclo[3.2.1]octane?
3-butan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89423739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).