N1-Boc-bicyclo[2.2.2]octane-1,4-diamine - CAS 1630906-54-5
Catalog: |
BB011939 |
Product Name: |
N1-Boc-bicyclo[2.2.2]octane-1,4-diamine |
CAS: |
1630906-54-5 |
Synonyms: |
N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamic acid tert-butyl ester; tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate |
IUPAC Name: | tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate |
Description: | N1-Boc-bicyclo[2.2.2]octane-1,4-diamine (CAS# 1630906-54-5) is a useful research chemical. |
Molecular Weight: | 240.34 |
Molecular Formula: | C13H24N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)N |
InChI: | InChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h4-9,14H2,1-3H3,(H,15,16) |
InChI Key: | GRVKFPSOHUZDAY-UHFFFAOYSA-N |
LogP: | 3.40640 |
Publication Number | Title | Priority Date |
US-2020347043-A1 | Modulators of the integrated stress pathway | 20190430 |
WO-2020223538-A1 | Substituted cycloalkyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
WO-2020117634-A1 | Ire1 small molecule inhibitors | 20181203 |
EP-3891130-A1 | Ire1 small molecule inhibitors | 20181203 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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