(5S)-2-azabicyclo[2.2.2]octan-5-amine

C7H14N2 — CID 146429192

IUPAC(5S)-2-azabicyclo[2.2.2]octan-5-amine
SMILESN[C@H]1CC2CCC1CN2
InChIInChI=1S/C7H14N2/c8-7-3-6-2-1-5(7)4-9-6/h5-7,9H,1-4,8H2/t5?,6?,7-/m0/s1
InChIKeyIRKVEBUIHJDQSU-AHXFUIDQSA-N
MW126.20 g/mol
LogP0.09
Rot. Bonds

About (5S)-2-azabicyclo[2.2.2]octan-5-amine

(5S)-2-azabicyclo[2.2.2]octan-5-amine (PubChem CID 146429192) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (5S)-2-azabicyclo[2.2.2]octan-5-amine.

Molecular Properties

Compound Name(5S)-2-azabicyclo[2.2.2]octan-5-amine
PubChem CID146429192
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(5S)-2-azabicyclo[2.2.2]octan-5-amine
SMILESN[C@H]1CC2CCC1CN2
InChIInChI=1S/C7H14N2/c8-7-3-6-2-1-5(7)4-9-6/h5-7,9H,1-4,8H2/t5?,6?,7-/m0/s1
InChIKeyIRKVEBUIHJDQSU-AHXFUIDQSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-azabicyclo[2.2.2]octan-5-amine?
The IUPAC name of (5S)-2-azabicyclo[2.2.2]octan-5-amine (CID 146429192) is (5S)-2-azabicyclo[2.2.2]octan-5-amine.
What is the SMILES notation for (5S)-2-azabicyclo[2.2.2]octan-5-amine?
The canonical SMILES for (5S)-2-azabicyclo[2.2.2]octan-5-amine is N[C@H]1CC2CCC1CN2.
What is the InChIKey of (5S)-2-azabicyclo[2.2.2]octan-5-amine?
The InChIKey is IRKVEBUIHJDQSU-AHXFUIDQSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-3-6-2-1-5(7)4-9-6/h5-7,9H,1-4,8H2/t5?,6?,7-/m0/s1.
What are the key properties of (5S)-2-azabicyclo[2.2.2]octan-5-amine?
(5S)-2-azabicyclo[2.2.2]octan-5-amine has a molecular weight of 126.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-azabicyclo[2.2.2]octan-5-amine is sourced from PubChem (CID 146429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).