tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H28N2O2 — CID 146439320

IUPACtert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC(NCc1ccccc1)C2
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-10-17(21)12-15(11-16)20-13-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16-,17?/m1/s1
InChIKeySFSGQPRQMNUZTA-AQFXKWCLSA-N
MW316.44 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 146439320) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID146439320
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Nametert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC(NCc1ccccc1)C2
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-10-17(21)12-15(11-16)20-13-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16-,17?/m1/s1
InChIKeySFSGQPRQMNUZTA-AQFXKWCLSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(benzylamino)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 18507079
tert-butyl 3-[(2-ethylphenyl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113239400
tert-butyl 3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75425836
tert-butyl 3-[2-(2-fluorophenyl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75416745
tert-butyl 3-(2-pyridin-4-ylethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 46114360
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate
CID 162005885
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
tert-butyl 3-(2-propylanilino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113232453
tert-butyl 3-[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 110040331
tert-butyl (1R,4R,5S)-5-(benzylamino)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 86330913
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 146439320) is tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CC[C@@H]1CC(NCc1ccccc1)C2.
What is the InChIKey of tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is SFSGQPRQMNUZTA-AQFXKWCLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-10-17(21)12-15(11-16)20-13-14-7-5-4-6-8-14/h4-8,15-17,20H,9-13H2,1-3H3/t15?,16-,17?/m1/s1.
What are the key properties of tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 146439320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).