tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate

C20H30N2O2 — CID 91278962

IUPACtert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21(4)18-12-16-10-11-17(13-18)22(16)14-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3
InChIKeyZGBMXRMLUOLVSP-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.05
Rot. Bonds3

About tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate

tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate (PubChem CID 91278962) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
PubChem CID91278962
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21(4)18-12-16-10-11-17(13-18)22(16)14-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3
InChIKeyZGBMXRMLUOLVSP-UHFFFAOYSA-N
XLogP4.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
CID 46175795
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-pyridin-4-ylcarbamate
CID 23577316
benzyl (1S,5R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylcarbamate
CID 167690175
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-phenylpropanamide
CID 3081002
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate (CID 91278962) is tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
The InChIKey is ZGBMXRMLUOLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21(4)18-12-16-10-11-17(13-18)22(16)14-15-8-6-5-7-9-15/h5-9,16-18H,10-14H2,1-4H3.
What are the key properties of tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate?
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate has a molecular weight of 330.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate is sourced from PubChem (CID 91278962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).