1-propyl-3-azabicyclo[3.2.1]octane

C10H19N — CID 84763453

IUPAC1-propyl-3-azabicyclo[3.2.1]octane
SMILESCCCC12CCC(CNC1)C2
InChIInChI=1S/C10H19N/c1-2-4-10-5-3-9(6-10)7-11-8-10/h9,11H,2-8H2,1H3
InChIKeyNUBVKOYTEIKQDE-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds2

About 1-propyl-3-azabicyclo[3.2.1]octane

1-propyl-3-azabicyclo[3.2.1]octane (PubChem CID 84763453) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-propyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-propyl-3-azabicyclo[3.2.1]octane
PubChem CID84763453
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-propyl-3-azabicyclo[3.2.1]octane
SMILESCCCC12CCC(CNC1)C2
InChIInChI=1S/C10H19N/c1-2-4-10-5-3-9(6-10)7-11-8-10/h9,11H,2-8H2,1H3
InChIKeyNUBVKOYTEIKQDE-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-propyl-3-azabicyclo[3.2.1]octane (CID 84763453) is 1-propyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-propyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-propyl-3-azabicyclo[3.2.1]octane is CCCC12CCC(CNC1)C2.
What is the InChIKey of 1-propyl-3-azabicyclo[3.2.1]octane?
The InChIKey is NUBVKOYTEIKQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-4-10-5-3-9(6-10)7-11-8-10/h9,11H,2-8H2,1H3.
What are the key properties of 1-propyl-3-azabicyclo[3.2.1]octane?
1-propyl-3-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).