tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate

C13H24N2O2 — CID 23577313

IUPACtert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-8-9-6-10-4-5-11(7-9)15-10/h9-11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyKAVQNCGGFFBHEO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate

tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate (PubChem CID 23577313) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
PubChem CID23577313
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-8-9-6-10-4-5-11(7-9)15-10/h9-11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyKAVQNCGGFFBHEO-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate with MolForge

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Related Compounds

Exo-3-(boc-amino)-8-azabicyclo[3.2.1]octane
CID 14774663
Tert-butyl 2-(piperidin-3-yl)pyrrolidine-1-carboxylate
CID 16228807
1,1-Dimethylethyl 2-(4-piperidinyl)-1-pyrrolidinecarboxylate
CID 16228838
1-Pyrrolidinecarboxylic acid, 2-(4-piperidinyl)-, 1,1-dimethylethyl ester, (2S)-
CID 28818856
1,1-Dimethylethyl 3-(3-piperidinyl)-1-pyrrolidinecarboxylate
CID 58593111
tert-Butyl 3-(ethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238622
Tert-butyl 3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 61238944
Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
Tert-butyl 3-[(piperidin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 82667323
tert-butyl N-({9-azabicyclo[3.3.1]nonan-3-yl}methyl)carbamate
CID 45792692
rac-tert-butyl (1R,3S,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 50999075
Tert-butyl 4-(pyrrolidin-2-yl)piperidine-1-carboxylate
CID 71695541

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate (CID 23577313) is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2.
What is the InChIKey of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
The InChIKey is KAVQNCGGFFBHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-8-9-6-10-4-5-11(7-9)15-10/h9-11,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate?
tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate is sourced from PubChem (CID 23577313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).