(3S)-1-azabicyclo[2.2.2]octan-3-amine

C7H14N2 — CID 719216

IUPAC(3S)-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1CN2CCC1CC2
InChIInChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1
InChIKeyREUAXQZIRFXQML-SSDOTTSWSA-N
MW126.20 g/mol
LogP0.04
Rot. Bonds

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

(3S)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 719216) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3S)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3S)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID719216
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3S)-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1CN2CCC1CC2
InChIInChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1
InChIKeyREUAXQZIRFXQML-SSDOTTSWSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3S)-1-azabicyclo[2.2.2]octan-3-amine (CID 719216) is (3S)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3S)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3S)-1-azabicyclo[2.2.2]octan-3-amine is N[C@@H]1CN2CCC1CC2.
What is the InChIKey of (3S)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is REUAXQZIRFXQML-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1.
What are the key properties of (3S)-1-azabicyclo[2.2.2]octan-3-amine?
(3S)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 126.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 719216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).