2-azabicyclo[4.3.2]undecane

C10H19N — CID 162402634

IUPAC2-azabicyclo[4.3.2]undecane
SMILESC1CNC2CCCC(C1)CC2
InChIInChI=1S/C10H19N/c1-3-9-4-2-8-11-10(5-1)7-6-9/h9-11H,1-8H2
InChIKeyBOCRGAWDHWQUBZ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About 2-azabicyclo[4.3.2]undecane

2-azabicyclo[4.3.2]undecane (PubChem CID 162402634) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-azabicyclo[4.3.2]undecane.

Molecular Properties

Compound Name2-azabicyclo[4.3.2]undecane
PubChem CID162402634
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-azabicyclo[4.3.2]undecane
SMILESC1CNC2CCCC(C1)CC2
InChIInChI=1S/C10H19N/c1-3-9-4-2-8-11-10(5-1)7-6-9/h9-11H,1-8H2
InChIKeyBOCRGAWDHWQUBZ-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-Azabicyclo octane
CID 19706164
7-Azabicyclo[4.2.1]nonane
CID 20581453
2-Azabicyclo[3.3.2]decane
CID 22279968
7-Azabicyclo[4.3.1]decane
CID 22279972
2,4-Di(propan-2-yl)azocane
CID 18957807
2,5,8-Trimethylazocane
CID 18957810
2,5,8-Triethylazocane
CID 21748620
8-Azabicyclo[5.2.0]nonane
CID 50986282
2-Azabicyclo[10.3.2]heptadecane
CID 57212702
2,4,9-Trimethylazonane
CID 57247519
2-Butan-2-ylazocane
CID 57646198
2,3-Dimethylazocane
CID 57973700

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.3.2]undecane?
The IUPAC name of 2-azabicyclo[4.3.2]undecane (CID 162402634) is 2-azabicyclo[4.3.2]undecane.
What is the SMILES notation for 2-azabicyclo[4.3.2]undecane?
The canonical SMILES for 2-azabicyclo[4.3.2]undecane is C1CNC2CCCC(C1)CC2.
What is the InChIKey of 2-azabicyclo[4.3.2]undecane?
The InChIKey is BOCRGAWDHWQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9-4-2-8-11-10(5-1)7-6-9/h9-11H,1-8H2.
What are the key properties of 2-azabicyclo[4.3.2]undecane?
2-azabicyclo[4.3.2]undecane has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.3.2]undecane is sourced from PubChem (CID 162402634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).