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

C12H23N3O2 — CID 98052999

IUPACtert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-14-10-6-8-4-5-9(7-10)13-8/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyBZUDBVRKNRRGSZ-IUCAKERBSA-N
MW241.33 g/mol
LogP1.30
Rot. Bonds2

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

tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate (PubChem CID 98052999) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
PubChem CID98052999
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1C[C@@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-14-10-6-8-4-5-9(7-10)13-8/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyBZUDBVRKNRRGSZ-IUCAKERBSA-N
XLogP1.30
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-[(1R,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]carbamate
CID 126970193
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
CID 69210205
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174659378
tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate
CID 137358863
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropanamide
CID 61237375

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate (CID 98052999) is tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate is CC(C)(C)OC(=O)NNC1C[C@@H]2CC[C@@H](C1)N2.
What is the InChIKey of tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate?
The InChIKey is BZUDBVRKNRRGSZ-IUCAKERBSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-14-10-6-8-4-5-9(7-10)13-8/h8-10,13-14H,4-7H2,1-3H3,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate?
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate has a molecular weight of 241.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate is sourced from PubChem (CID 98052999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).