1-azabicyclo[2.2.2]octan-3-ylmethanamine

C8H16N2 — CID 12603059

IUPAC1-azabicyclo[2.2.2]octan-3-ylmethanamine
SMILESNCC1CN2CCC1CC2
InChIInChI=1S/C8H16N2/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6,9H2
InChIKeyNLSCFLSNWRVGLP-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds1

About 1-azabicyclo[2.2.2]octan-3-ylmethanamine

1-azabicyclo[2.2.2]octan-3-ylmethanamine (PubChem CID 12603059) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-ylmethanamine.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-ylmethanamine
PubChem CID12603059
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-azabicyclo[2.2.2]octan-3-ylmethanamine
SMILESNCC1CN2CCC1CC2
InChIInChI=1S/C8H16N2/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6,9H2
InChIKeyNLSCFLSNWRVGLP-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethanamine?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-ylmethanamine (CID 12603059) is 1-azabicyclo[2.2.2]octan-3-ylmethanamine.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-ylmethanamine?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-ylmethanamine is NCC1CN2CCC1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-ylmethanamine?
The InChIKey is NLSCFLSNWRVGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6,9H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-ylmethanamine?
1-azabicyclo[2.2.2]octan-3-ylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-ylmethanamine is sourced from PubChem (CID 12603059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).