tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C15H28N2O2 — CID 107238379

IUPACtert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)CNC1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C15H28N2O2/c1-14(2,3)9-16-12-10-7-17(8-11(10)12)13(18)19-15(4,5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyREETYSWGKCJFCP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 107238379) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID107238379
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)CNC1C2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C15H28N2O2/c1-14(2,3)9-16-12-10-7-17(8-11(10)12)13(18)19-15(4,5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyREETYSWGKCJFCP-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 6-(hexylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238371
tert-butyl 6-(2-cyclohexylethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238693
tert-butyl 6-(oxolan-2-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238502
tert-butyl 6-(3-methylpentan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238670
tert-butyl 6-(pyrimidin-5-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238373
tert-butyl 6-[(2,6-dichlorophenyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238354
tert-butyl 6-[(4-methylsulfanylphenyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238599
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 6-[(5-ethylthiophen-2-yl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238494
tert-butyl 6-[(3-methylphenyl)methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238541

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 107238379) is tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)CNC1C2CN(C(=O)OC(C)(C)C)CC21.
What is the InChIKey of tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is REETYSWGKCJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)9-16-12-10-7-17(8-11(10)12)13(18)19-15(4,5)6/h10-12,16H,7-9H2,1-6H3.
What are the key properties of tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2,2-dimethylpropylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 107238379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).