tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate

C15H26N2O2 — CID 23137630

IUPACtert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate
SMILESC=CC1CN2CCC1CC2CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-5-11-10-17-7-6-12(11)8-13(17)9-16-14(18)19-15(2,3)4/h5,11-13H,1,6-10H2,2-4H3,(H,16,18)
InChIKeySKNULQCHMXHTAS-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate

tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate (PubChem CID 23137630) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate
PubChem CID23137630
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate
SMILESC=CC1CN2CCC1CC2CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O2/c1-5-11-10-17-7-6-12(11)8-13(17)9-16-14(18)19-15(2,3)4/h5,11-13H,1,6-10H2,2-4H3,(H,16,18)
InChIKeySKNULQCHMXHTAS-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.41
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

tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
CID 162417829
tert-butyl N-[[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 59129895
Tert-butyl 3-amino-4-ethenylpiperidine-1-carboxylate
CID 68041799
tert-butyl N-[[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 68536632
Tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate
CID 91201774
tert-butyl (1S,4S)-6-ethenyl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 171769793
Tert-butyl 6-ethenyl-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 176139951
N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
CID 25389115
tert-butyl N-[(3S,5S)-5-prop-2-enylpiperidin-3-yl]carbamate
CID 46829958
Tert-butyl 3-(cyclohex-3-en-1-ylmethylamino)piperidine-1-carboxylate
CID 61950163
tert-butyl N-[[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 72792654
N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
CID 74450951

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate (CID 23137630) is tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate is C=CC1CN2CCC1CC2CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate?
The InChIKey is SKNULQCHMXHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-11-10-17-7-6-12(11)8-13(17)9-16-14(18)19-15(2,3)4/h5,11-13H,1,6-10H2,2-4H3,(H,16,18).
What are the key properties of tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate?
tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate has a molecular weight of 266.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate is sourced from PubChem (CID 23137630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).