2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane

C17H30N2 — CID 176632123

IUPAC2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
SMILESC[C@@H]1CC2(CN3CC4(CCC4)C3)CC2N1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-13-8-17(9-14(17)19(13)15(2,3)4)12-18-10-16(11-18)6-5-7-16/h13-14H,5-12H2,1-4H3/t13-,14?,17?/m1/s1
InChIKeyOEPJKBLCSVXWNL-TUBUQKNSSA-N
MW262.44 g/mol
LogP3.12
Rot. Bonds2

About 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane

2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 176632123) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
PubChem CID176632123
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane
SMILESC[C@@H]1CC2(CN3CC4(CCC4)C3)CC2N1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-13-8-17(9-14(17)19(13)15(2,3)4)12-18-10-16(11-18)6-5-7-16/h13-14H,5-12H2,1-4H3/t13-,14?,17?/m1/s1
InChIKeyOEPJKBLCSVXWNL-TUBUQKNSSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane with MolForge

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Related Compounds

2-[(2,3-dimethyl-2-azabicyclo[3.1.0]hexan-5-yl)methyl]-2-azaspiro[3.3]heptane;ethane
CID 168939147
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
(3R)-2-tert-butyl-5-(methoxymethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632015
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 170080212
(1R,3R,5R)-2-tert-butyl-5-[(4-cyclopropyltriazol-2-yl)methyl]-3-methyl-2-azabicyclo[3.1.0]hexane
CID 176632051
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
(3aR,6aS)-2-[[(3S,5R)-2,3-ditert-butyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166767209
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 153298312
(3R,5R)-2-tert-butyl-3-methyl-5-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]-2-azabicyclo[3.1.0]hexane
CID 149109413
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane (CID 176632123) is 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane is C[C@@H]1CC2(CN3CC4(CCC4)C3)CC2N1C(C)(C)C.
What is the InChIKey of 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is OEPJKBLCSVXWNL-TUBUQKNSSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-8-17(9-14(17)19(13)15(2,3)4)12-18-10-16(11-18)6-5-7-16/h13-14H,5-12H2,1-4H3/t13-,14?,17?/m1/s1.
What are the key properties of 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane?
2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 262.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 176632123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).