2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine

C12H24N2 — CID 139034685

IUPAC2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
SMILESNCCC1CC2CCC1CC2CCN
InChIInChI=1S/C12H24N2/c13-5-3-11-8-10-2-1-9(11)7-12(10)4-6-14/h9-12H,1-8,13-14H2
InChIKeyCLWDSFGRPVGCCK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine

2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine (PubChem CID 139034685) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
PubChem CID139034685
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
SMILESNCCC1CC2CCC1CC2CCN
InChIInChI=1S/C12H24N2/c13-5-3-11-8-10-2-1-9(11)7-12(10)4-6-14/h9-12H,1-8,13-14H2
InChIKeyCLWDSFGRPVGCCK-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 101328281
2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 139364896
2-(2-cyclopentylcyclopropyl)ethanamine
CID 83826413
2-[(2S)-2-methylcyclopropyl]ethanamine
CID 154557552
2-[3,4-bis(2-aminoethyl)cyclohexyl]ethanamine
CID 54261577
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-[(2R)-2-methylcyclononyl]ethanamine
CID 139362460
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
CID 134298147
3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
CID 54031632
2-[(1R,2S)-2-(1-methylpiperidin-4-yl)cyclopropyl]ethanamine
CID 118406336

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine?
The IUPAC name of 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine (CID 139034685) is 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine is NCCC1CC2CCC1CC2CCN.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine?
The InChIKey is CLWDSFGRPVGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-5-3-11-8-10-2-1-9(11)7-12(10)4-6-14/h9-12H,1-8,13-14H2.
What are the key properties of 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine?
2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine is sourced from PubChem (CID 139034685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).