N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

C13H22N2O — CID 80714777

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC2OC1CC2NC1CN2CCC1CC2
InChIInChI=1S/C13H22N2O/c1-2-13-11(7-10(1)16-13)14-12-8-15-5-3-9(12)4-6-15/h9-14H,1-8H2
InChIKeyXFMSZJSHJVFSJN-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.99
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 80714777) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID80714777
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESC1CC2OC1CC2NC1CN2CCC1CC2
InChIInChI=1S/C13H22N2O/c1-2-13-11(7-10(1)16-13)14-12-8-15-5-3-9(12)4-6-15/h9-14H,1-8H2
InChIKeyXFMSZJSHJVFSJN-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

1,3-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
CID 115728295
1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine
CID 80715147
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
CID 102733763
N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 130679057
N-(2-tert-butylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715919
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 80716268
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
2,6-dioxatricyclo[3.3.2.03,7]decane
CID 12591241
N-(2,2-dimethyl-1,3-dioxan-5-yl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106658878
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
CID 80733113

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 80714777) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is C1CC2OC1CC2NC1CN2CCC1CC2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XFMSZJSHJVFSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-13-11(7-10(1)16-13)14-12-8-15-5-3-9(12)4-6-15/h9-14H,1-8H2.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 222.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 80714777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).