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

C19H23N3 — CID 134838674

IUPAC(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
SMILESC=C[C@H]1CN2CCC1C[C@H]2[C@@H](N)c1ccnc2ccccc12
InChIInChI=1S/C19H23N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19H,1,8,10-12,20H2/t13-,14?,18-,19-/m0/s1
InChIKeyILZIKKYERYJBJZ-SIGHOMJDSA-N
MW293.41 g/mol
LogP3.13
Rot. Bonds3

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

(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine (PubChem CID 134838674) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
PubChem CID134838674
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
SMILESC=C[C@H]1CN2CCC1C[C@H]2[C@@H](N)c1ccnc2ccccc12
InChIInChI=1S/C19H23N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19H,1,8,10-12,20H2/t13-,14?,18-,19-/m0/s1
InChIKeyILZIKKYERYJBJZ-SIGHOMJDSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine
CID 53391468
(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine;trihydrochloride
CID 131871554
(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 11320
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 8350
(S)-[(4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
CID 25203360
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;hydrochloride
CID 3035282
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrate
CID 173424954
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;dihydrochloride
CID 18625690
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol;molecular hydrogen;sulfuric acid
CID 159282421
4-[(R)-[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-isothiocyanatomethyl]quinoline
CID 139247963
[(R)-[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] acetate
CID 134850762
[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl] methanesulfonate
CID 11760494

Frequently Asked Questions

What is the IUPAC name of (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine?
The IUPAC name of (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine (CID 134838674) is (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine.
What is the SMILES notation for (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine?
The canonical SMILES for (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine is C=C[C@H]1CN2CCC1C[C@H]2[C@@H](N)c1ccnc2ccccc12.
What is the InChIKey of (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine?
The InChIKey is ILZIKKYERYJBJZ-SIGHOMJDSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-13-12-22-10-8-14(13)11-18(22)19(20)16-7-9-21-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19H,1,8,10-12,20H2/t13-,14?,18-,19-/m0/s1.
What are the key properties of (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine?
(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanamine is sourced from PubChem (CID 134838674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).