8-propyl-1,5-diazabicyclo[3.2.1]octane

C9H18N2 — CID 20568209

IUPAC8-propyl-1,5-diazabicyclo[3.2.1]octane
SMILESCCCC1N2CCCN1CC2
InChIInChI=1S/C9H18N2/c1-2-4-9-10-5-3-6-11(9)8-7-10/h9H,2-8H2,1H3
InChIKeyJQTSGWOVSLONEL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.13
Rot. Bonds2

About 8-propyl-1,5-diazabicyclo[3.2.1]octane

8-propyl-1,5-diazabicyclo[3.2.1]octane (PubChem CID 20568209) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 8-propyl-1,5-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propyl-1,5-diazabicyclo[3.2.1]octane
PubChem CID20568209
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name8-propyl-1,5-diazabicyclo[3.2.1]octane
SMILESCCCC1N2CCCN1CC2
InChIInChI=1S/C9H18N2/c1-2-4-9-10-5-3-6-11(9)8-7-10/h9H,2-8H2,1H3
InChIKeyJQTSGWOVSLONEL-UHFFFAOYSA-N
XLogP1.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propyl-1,5-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-propyl-1,5-diazabicyclo[3.2.1]octane (CID 20568209) is 8-propyl-1,5-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propyl-1,5-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-propyl-1,5-diazabicyclo[3.2.1]octane is CCCC1N2CCCN1CC2.
What is the InChIKey of 8-propyl-1,5-diazabicyclo[3.2.1]octane?
The InChIKey is JQTSGWOVSLONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-4-9-10-5-3-6-11(9)8-7-10/h9H,2-8H2,1H3.
What are the key properties of 8-propyl-1,5-diazabicyclo[3.2.1]octane?
8-propyl-1,5-diazabicyclo[3.2.1]octane has a molecular weight of 154.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-1,5-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 20568209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).