1-azabicyclo[2.2.2]octan-2-amine

C7H14N2 — CID 18926968

IUPAC1-azabicyclo[2.2.2]octan-2-amine
SMILESNC1CC2CCN1CC2
InChIInChI=1S/C7H14N2/c8-7-5-6-1-3-9(7)4-2-6/h6-7H,1-5,8H2
InChIKeyIGNPOXGBNFMJHE-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.39
Rot. Bonds

About 1-azabicyclo[2.2.2]octan-2-amine

1-azabicyclo[2.2.2]octan-2-amine (PubChem CID 18926968) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-2-amine
PubChem CID18926968
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-azabicyclo[2.2.2]octan-2-amine
SMILESNC1CC2CCN1CC2
InChIInChI=1S/C7H14N2/c8-7-5-6-1-3-9(7)4-2-6/h6-7H,1-5,8H2
InChIKeyIGNPOXGBNFMJHE-UHFFFAOYSA-N
XLogP0.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.39
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-2-amine?
The IUPAC name of 1-azabicyclo[2.2.2]octan-2-amine (CID 18926968) is 1-azabicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-2-amine?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-2-amine is NC1CC2CCN1CC2.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-2-amine?
The InChIKey is IGNPOXGBNFMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-5-6-1-3-9(7)4-2-6/h6-7H,1-5,8H2.
What are the key properties of 1-azabicyclo[2.2.2]octan-2-amine?
1-azabicyclo[2.2.2]octan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 0.39, 0 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-2-amine is sourced from PubChem (CID 18926968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).