(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine

C7H15N3 — CID 174864016

IUPAC(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine
SMILESNC1C2CCN(CC2)[C@@H]1N
InChIInChI=1S/C7H15N3/c8-6-5-1-3-10(4-2-5)7(6)9/h5-7H,1-4,8-9H2/t6?,7-/m0/s1
InChIKeyIZPFCAWGYKPHQH-MLWJPKLSSA-N
MW141.22 g/mol
LogP-0.68
Rot. Bonds

About (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine

(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine (PubChem CID 174864016) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine.

Molecular Properties

Compound Name(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine
PubChem CID174864016
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine
SMILESNC1C2CCN(CC2)[C@@H]1N
InChIInChI=1S/C7H15N3/c8-6-5-1-3-10(4-2-5)7(6)9/h5-7H,1-4,8-9H2/t6?,7-/m0/s1
InChIKeyIZPFCAWGYKPHQH-MLWJPKLSSA-N
XLogP-0.68
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine?
The IUPAC name of (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine (CID 174864016) is (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine.
What is the SMILES notation for (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine?
The canonical SMILES for (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine is NC1C2CCN(CC2)[C@@H]1N.
What is the InChIKey of (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine?
The InChIKey is IZPFCAWGYKPHQH-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15N3/c8-6-5-1-3-10(4-2-5)7(6)9/h5-7H,1-4,8-9H2/t6?,7-/m0/s1.
What are the key properties of (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine?
(2S)-1-azabicyclo[2.2.2]octane-2,3-diamine has a molecular weight of 141.22 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-azabicyclo[2.2.2]octane-2,3-diamine is sourced from PubChem (CID 174864016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).