2-ethyl-2-azabicyclo[2.2.2]octan-4-amine

C9H18N2 — CID 167135138

IUPAC2-ethyl-2-azabicyclo[2.2.2]octan-4-amine
SMILESCCN1CC2(N)CCC1CC2
InChIInChI=1S/C9H18N2/c1-2-11-7-9(10)5-3-8(11)4-6-9/h8H,2-7,10H2,1H3
InChIKeyMGWWADMWRAJTPY-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds1

About 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine

2-ethyl-2-azabicyclo[2.2.2]octan-4-amine (PubChem CID 167135138) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-azabicyclo[2.2.2]octan-4-amine
PubChem CID167135138
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-2-azabicyclo[2.2.2]octan-4-amine
SMILESCCN1CC2(N)CCC1CC2
InChIInChI=1S/C9H18N2/c1-2-11-7-9(10)5-3-8(11)4-6-9/h8H,2-7,10H2,1H3
InChIKeyMGWWADMWRAJTPY-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-1-ylmethyl)cyclohexanamine
CID 6484226
2-Methyl-2-azabicyclo(2.2.2)octan-6-amine dihydrochloride
CID 121553857
1-[(4-Methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 28294547
2-Methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 55285034
2-(2,2-Difluoroethyl)-2-azabicyclo[2.2.2]octan-4-amine
CID 178093376
1-(4-Methyl-piperidin-1-ylmethyl)-cyclohexylamine
CID 6485705
1-[(4-Propylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 15406978
3-Methyl-1-(1-methylcyclohexyl)piperazine
CID 21336284
15-Methyl-7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane
CID 21454737
4-Methyl-1-piperidin-4-yl-1,4-diazaspiro[5.5]undecane
CID 23282628
N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-2-amine
CID 28622703
1-Methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 54137027

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine (CID 167135138) is 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine is CCN1CC2(N)CCC1CC2.
What is the InChIKey of 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine?
The InChIKey is MGWWADMWRAJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-7-9(10)5-3-8(11)4-6-9/h8H,2-7,10H2,1H3.
What are the key properties of 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine?
2-ethyl-2-azabicyclo[2.2.2]octan-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-azabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 167135138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).