3-azabicyclo[3.3.2]decane

C9H17N — CID 19708725

IUPAC3-azabicyclo[3.3.2]decane
SMILESC1CC2CCC(C1)CNC2
InChIInChI=1S/C9H17N/c1-2-8-4-5-9(3-1)7-10-6-8/h8-10H,1-7H2
InChIKeyPHFRQEWJTJELGF-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.79
Rot. Bonds

About 3-azabicyclo[3.3.2]decane

3-azabicyclo[3.3.2]decane (PubChem CID 19708725) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-azabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3-azabicyclo[3.3.2]decane
PubChem CID19708725
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-azabicyclo[3.3.2]decane
SMILESC1CC2CCC(C1)CNC2
InChIInChI=1S/C9H17N/c1-2-8-4-5-9(3-1)7-10-6-8/h8-10H,1-7H2
InChIKeyPHFRQEWJTJELGF-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.2]decane?
The IUPAC name of 3-azabicyclo[3.3.2]decane (CID 19708725) is 3-azabicyclo[3.3.2]decane.
What is the SMILES notation for 3-azabicyclo[3.3.2]decane?
The canonical SMILES for 3-azabicyclo[3.3.2]decane is C1CC2CCC(C1)CNC2.
What is the InChIKey of 3-azabicyclo[3.3.2]decane?
The InChIKey is PHFRQEWJTJELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-8-4-5-9(3-1)7-10-6-8/h8-10H,1-7H2.
What are the key properties of 3-azabicyclo[3.3.2]decane?
3-azabicyclo[3.3.2]decane has a molecular weight of 139.24 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.2]decane is sourced from PubChem (CID 19708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).