7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane

C9H17NO2 — CID 130626414

IUPAC7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane
SMILESCCCN1CC2COCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-2-3-10-4-8-6-11-7-9(5-10)12-8/h8-9H,2-7H2,1H3
InChIKeyPFUJOODIHHRIMI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.50
Rot. Bonds2

About 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane

7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane (PubChem CID 130626414) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane
PubChem CID130626414
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane
SMILESCCCN1CC2COCC(C1)O2
InChIInChI=1S/C9H17NO2/c1-2-3-10-4-8-6-11-7-9(5-10)12-8/h8-9H,2-7H2,1H3
InChIKeyPFUJOODIHHRIMI-UHFFFAOYSA-N
XLogP0.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane (CID 130626414) is 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane is CCCN1CC2COCC(C1)O2.
What is the InChIKey of 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane?
The InChIKey is PFUJOODIHHRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-10-4-8-6-11-7-9(5-10)12-8/h8-9H,2-7H2,1H3.
What are the key properties of 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane?
7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane has a molecular weight of 171.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3,9-dioxa-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 130626414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).