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

C10H18N2 — CID 15907582

IUPAC[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESC=C[C@H]1CN2CC[C@H]1C[C@H]2CN
InChIInChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2/t8-,9-,10-/m0/s1
InChIKeyZDMOUIRMMCULSB-GUBZILKMSA-N
MW166.27 g/mol
LogP0.84
Rot. Bonds2

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

[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine (PubChem CID 15907582) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
PubChem CID15907582
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
SMILESC=C[C@H]1CN2CC[C@H]1C[C@H]2CN
InChIInChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2/t8-,9-,10-/m0/s1
InChIKeyZDMOUIRMMCULSB-GUBZILKMSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The IUPAC name of [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine (CID 15907582) is [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine.
What is the SMILES notation for [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The canonical SMILES for [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine is C=C[C@H]1CN2CC[C@H]1C[C@H]2CN.
What is the InChIKey of [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
The InChIKey is ZDMOUIRMMCULSB-GUBZILKMSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8-7-12-4-3-9(8)5-10(12)6-11/h2,8-10H,1,3-7,11H2/t8-,9-,10-/m0/s1.
What are the key properties of [(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine?
[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine has a molecular weight of 166.27 g/mol, XLogP of 0.84, 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-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine is sourced from PubChem (CID 15907582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).