(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

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Related Compounds

2-(1-methylpiperidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 115034186
2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19108409
2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108416
(2S,3R)-2-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 99643394
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
CID 81458352
(4R,5R,9R)-9-methyl-1-azabicyclo[3.3.1]nonan-4-amine
CID 130778942
1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
CID 56997162
1-(1-azabicyclo[2.2.2]octan-3-yl)azetidin-3-amine
CID 65244845
trans-(1S,2S)-2-pyrrolidin-1-ylcyclobutan-1-amine
CID 130759718
8-amino-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
CID 85195122
trans-(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentan-1-amine
CID 30819011
1-(1-azabicyclo[3.2.1]octan-4-yl)azetidin-3-amine
CID 105365579

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).