tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate

C12H22N2O2 — CID 98454271

IUPACtert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@]12CNC[C@@H]1C2)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14(4)8-12-5-9(12)6-13-7-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyUCMUPBISLYTFNS-CABZTGNLSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate (PubChem CID 98454271) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
PubChem CID98454271
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@]12CNC[C@@H]1C2)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14(4)8-12-5-9(12)6-13-7-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1
InChIKeyUCMUPBISLYTFNS-CABZTGNLSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl 4-(3-azabicyclo[3.1.0]hexan-1-ylmethylsulfonyl)piperazine-1-carboxylate
CID 168954107
tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate
CID 163762600
tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
CID 154856942
tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
CID 155821381
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 103098260
tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]carbamate
CID 146602499
tert-butyl N-[(5-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamate
CID 174176634
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl N-[(3aS,6aR)-5-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]carbamate
CID 69173106
tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
CID 19883290

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate (CID 98454271) is tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate is CN(C[C@]12CNC[C@@H]1C2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate?
The InChIKey is UCMUPBISLYTFNS-CABZTGNLSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14(4)8-12-5-9(12)6-13-7-12/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate has a molecular weight of 226.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 98454271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).