1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine

C10H19N3 — CID 65244845

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
SMILESNC1CN(C2CN3CCC2CC3)C1
InChIInChI=1S/C10H19N3/c11-9-5-13(6-9)10-7-12-3-1-8(10)2-4-12/h8-10H,1-7,11H2
InChIKeyLVGBJYYRFUDLGW-UHFFFAOYSA-N
MW181.28 g/mol
LogP-0.28
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine

1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine (PubChem CID 65244845) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
PubChem CID65244845
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
SMILESNC1CN(C2CN3CCC2CC3)C1
InChIInChI=1S/C10H19N3/c11-9-5-13(6-9)10-7-12-3-1-8(10)2-4-12/h8-10H,1-7,11H2
InChIKeyLVGBJYYRFUDLGW-UHFFFAOYSA-N
XLogP-0.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylpiperidin-3-amine
CID 79987335
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
CID 81458352
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
CID 103975547
ethane;3-piperazin-1-yl-1-azabicyclo[2.2.2]octane
CID 143122272
1-(1-azabicyclo[2.2.2]octan-3-yl)-N,4-dimethylpiperidin-4-amine
CID 113282811
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522103
2-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]propanoic acid
CID 65062890
[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazepan-1-yl] formate
CID 142774582
(3R)-1-azabicyclo[3.2.2]nonan-3-amine
CID 93499871
3-(5-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54973083
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine (CID 65244845) is 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine is NC1CN(C2CN3CCC2CC3)C1.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine?
The InChIKey is LVGBJYYRFUDLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-9-5-13(6-9)10-7-12-3-1-8(10)2-4-12/h8-10H,1-7,11H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine?
1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine has a molecular weight of 181.28 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine is sourced from PubChem (CID 65244845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).