tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane

C16H30N2O2 — CID 153403871

IUPACtert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2CCC(C1)N2C1CC1
InChIInChI=1S/C14H24N2O2.C2H6/c1-14(2,3)18-13(17)15-8-11-6-7-12(9-15)16(11)10-4-5-10;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyMOEKBKWVRNXQOX-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.26
Rot. Bonds1

About tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane

tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane (PubChem CID 153403871) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
PubChem CID153403871
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC2CCC(C1)N2C1CC1
InChIInChI=1S/C14H24N2O2.C2H6/c1-14(2,3)18-13(17)15-8-11-6-7-12(9-15)16(11)10-4-5-10;1-2/h10-12H,4-9H2,1-3H3;1-2H3
InChIKeyMOEKBKWVRNXQOX-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane with MolForge

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Related Compounds

tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
CID 98051504
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl (1R,5S)-3-aza-8-azoniabicyclo[3.2.1]octane-3-carboxylate
CID 86306910
tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 168903998
tert-butyl (5S)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167310373

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane?
The IUPAC name of tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane (CID 153403871) is tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane.
What is the SMILES notation for tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane?
The canonical SMILES for tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC2CCC(C1)N2C1CC1.
What is the InChIKey of tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane?
The InChIKey is MOEKBKWVRNXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.C2H6/c1-14(2,3)18-13(17)15-8-11-6-7-12(9-15)16(11)10-4-5-10;1-2/h10-12H,4-9H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane?
tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane has a molecular weight of 282.43 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane is sourced from PubChem (CID 153403871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).