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

C20H30N2O2 — CID 23577315

IUPACtert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-13-16-11-17-9-10-18(12-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,21,23)
InChIKeyAAWVOEWJHMNAJC-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.95
Rot. Bonds4

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

tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate (PubChem CID 23577315) 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)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
PubChem CID23577315
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-13-16-11-17-9-10-18(12-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,21,23)
InChIKeyAAWVOEWJHMNAJC-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

9-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936572
tert-butyl N-[(1-benzylazepan-3-yl)methyl]carbamate
CID 130577903
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-N-pyridin-4-ylcarbamate
CID 23577316
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane
CID 158402727
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 166183692
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate (CID 23577315) is tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate?
The InChIKey is AAWVOEWJHMNAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-13-16-11-17-9-10-18(12-16)22(17)14-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate?
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 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)methyl]carbamate is sourced from PubChem (CID 23577315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).