tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C13H24N2O2 — CID 98043496

IUPACtert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4/h9-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyHENUDNYKZHNMCC-QWRGUYRKSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 98043496) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
PubChem CID98043496
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4/h9-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyHENUDNYKZHNMCC-QWRGUYRKSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
tert-butyl N-[(1S,5R)-8-(3-methyliminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 167079450
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
(2S)-1,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 163232065
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
methyl 2-[(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octan-8-yl]acetate;molecular hydrogen
CID 163375136
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 98043496) is tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate is CN1[C@H]2CC[C@H]1CC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
The InChIKey is HENUDNYKZHNMCC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4/h9-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate?
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 98043496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).