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

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

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Related Compounds

(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
3-tert-butyl-1-propylazetidine
CID 134337419
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]butan-1-amine
CID 66372207
(1R,5S)-3-ethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane
CID 177187358
3,4-dihexyl-1-propylpyrrolidine
CID 174344132
3-methylsulfanyl-1-propylazetidine
CID 66695251
3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propyloxolan-3-amine
CID 66371661
N-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66393443

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).