[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine

C10H20N2 — CID 57350103

IUPAC[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESCC[C@H]1CN2CC[C@H]1C[C@H]2CN
InChIInChI=1S/C10H20N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h8-10H,2-7,11H2,1H3/t8-,9-,10-/m0/s1
InChIKeyHUVUAKNHVGVNGQ-GUBZILKMSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds2

About [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine

[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine (PubChem CID 57350103) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
PubChem CID57350103
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESCC[C@H]1CN2CC[C@H]1C[C@H]2CN
InChIInChI=1S/C10H20N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h8-10H,2-7,11H2,1H3/t8-,9-,10-/m0/s1
InChIKeyHUVUAKNHVGVNGQ-GUBZILKMSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123238
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CID 3053134
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CID 113785
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CID 11401004
CID 11401004
CID 55289838
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CID 122156649
CID 122156649
CID 146148265
CID 146148265
CID 719216
CID 719216
CID 12737762
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CID 19775384
CID 19775384
CID 19849160
CID 19849160

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The IUPAC name of [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine (CID 57350103) is [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine.
What is the SMILES notation for [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The canonical SMILES for [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine is CC[C@H]1CN2CC[C@H]1C[C@H]2CN.
What is the InChIKey of [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The InChIKey is HUVUAKNHVGVNGQ-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h8-10H,2-7,11H2,1H3/t8-,9-,10-/m0/s1.
What are the key properties of [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine is sourced from PubChem (CID 57350103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).