2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile

C14H24N2 — CID 153298482

IUPAC2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile
SMILESC[C@@H]1C[C@@]2(C(C)(C)C#N)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C14H24N2/c1-10-7-14(13(5,6)9-15)8-11(14)16(10)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-,14-/m1/s1
InChIKeyRKXKGJGNEFMPLU-JTNHKYCSSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds1

About 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile

2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile (PubChem CID 153298482) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile
PubChem CID153298482
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile
SMILESC[C@@H]1C[C@@]2(C(C)(C)C#N)C[C@H]2N1C(C)(C)C
InChIInChI=1S/C14H24N2/c1-10-7-14(13(5,6)9-15)8-11(14)16(10)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-,14-/m1/s1
InChIKeyRKXKGJGNEFMPLU-JTNHKYCSSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile with MolForge

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Related Compounds

(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632015
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
CID 176632075
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 149109413
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 170080212
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
CID 176632123
(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
CID 164846076
1-[4-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]piperazin-1-yl]ethanone
CID 176632061
(1R,3R,5R)-2-tert-butyl-6,6-difluoro-3-methyl-2-azabicyclo[3.2.0]heptane
CID 153298728
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 153298312
(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632051
2-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
CID 131160202
2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
CID 176632013

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile (CID 153298482) is 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile is C[C@@H]1C[C@@]2(C(C)(C)C#N)C[C@H]2N1C(C)(C)C.
What is the InChIKey of 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile?
The InChIKey is RKXKGJGNEFMPLU-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-7-14(13(5,6)9-15)8-11(14)16(10)12(2,3)4/h10-11H,7-8H2,1-6H3/t10-,11-,14-/m1/s1.
What are the key properties of 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile?
2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile has a molecular weight of 220.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]-2-methylpropanenitrile is sourced from PubChem (CID 153298482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).