2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

C10H21N3 — CID 19108404

IUPAC2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)(N)C1C(N)C2CCN1CC2
InChIInChI=1S/C10H21N3/c1-10(2,12)9-8(11)7-3-5-13(9)6-4-7/h7-9H,3-6,11-12H2,1-2H3
InChIKeyYSWBKGUMTZVTBO-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.15
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19108404) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19108404
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)(N)C1C(N)C2CCN1CC2
InChIInChI=1S/C10H21N3/c1-10(2,12)9-8(11)7-3-5-13(9)6-4-7/h7-9H,3-6,11-12H2,1-2H3
InChIKeyYSWBKGUMTZVTBO-UHFFFAOYSA-N
XLogP0.15
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Quinuclidine, 2-((2-diethylaminoethyl)aminomethyl)-
CID 3053134
(2S,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 57350103
1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine
CID 365209
(2R,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 11401004
4,4'-Dimethyl-2,2'-bipiperidine (mixture of isomers)
CID 5232996
3-Methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 55289838
rac-(2R,3S)-2-methyl-1-azabicyclo(2.2.2)octan-3-amine dihydrochloride
CID 146148265
{1-Azabicyclo[2.2.2]octan-2-yl}methanamine
CID 12737762
N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 19775384
3-Ethylaminoquinuclidine
CID 19849160
5-Fluoro-4-piperidin-1-yl-3-propylpiperidin-3-amine
CID 134577910
2-(4-Fluoro-1-methylpiperidin-2-yl)-1,4-dimethylpiperidin-4-amine
CID 163854655

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 19108404) is 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is CC(C)(N)C1C(N)C2CCN1CC2.
What is the InChIKey of 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is YSWBKGUMTZVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2,12)9-8(11)7-3-5-13(9)6-4-7/h7-9H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 183.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19108404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).