3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine

C168H287N13 — CID 160618804

IUPAC3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C#CC(C)(C)C)N1CC2CC2C1.CC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C
InChIInChI=1S/5C13H21N.7C13H23N.C12H21N/c3*1-10(5-6-13(2,3)4)14-8-11-7-12(11)9-14;1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h3*10-12H,7-9H2,1-4H3;11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t2*10-,11?,12?;;;;;2*12-;;2*12-;;/m10....10.10../s1
InChIKeyRGLBABNINHICKL-KXXRSJOJSA-N
MW2489.23 g/mol
LogP34.78
Rot. Bonds13

About 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine

3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine (PubChem CID 160618804) has the molecular formula C168H287N13 and a molecular weight of 2489.23 g/mol. Its IUPAC name is 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine.

Molecular Properties

Compound Name3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
PubChem CID160618804
Molecular FormulaC168H287N13
Molecular Weight2489.23 g/mol
Exact Mass2487.29
IUPAC Name3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
SMILESCC(C#CC(C)(C)C)N1CC2CC2C1.CC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C
InChIInChI=1S/5C13H21N.7C13H23N.C12H21N/c3*1-10(5-6-13(2,3)4)14-8-11-7-12(11)9-14;1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h3*10-12H,7-9H2,1-4H3;11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t2*10-,11?,12?;;;;;2*12-;;2*12-;;/m10....10.10../s1
InChIKeyRGLBABNINHICKL-KXXRSJOJSA-N
XLogP34.78
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002489.23
LogP ≤ 534.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[3.1.0]hexane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpyrrolidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpyrrolidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 158358809
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[3.1.0]hexane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 158565704
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[3.1.0]hexane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 159679448
CID 160256096
CID 160256096
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[3.1.0]hexane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpyrrolidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 161354500
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 161740052
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 161893635
1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]pyrrolidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-4-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 167566790
1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(3S)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(3R)-1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine
CID 167669383
1-Fluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;6-fluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;methane;1-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168389373
1-Fluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;6-fluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;1-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[4.1.0]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168429151

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The IUPAC name of 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine (CID 160618804) is 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine.
What is the SMILES notation for 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The canonical SMILES for 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine is CC(C#CC(C)(C)C)N1CC2CC2C1.CC(C#CC(C)(C)C)N1CCCCC1.CC(C)(C)C#CCN1CCC2(CC2)C1.CC(C)(C)C#CCN1CCC2CC2C1.CC(C)(C)C#CCN1CCCCC1.CC1CCCCN1CC#CC(C)(C)C.CC1CCCN(CC#CC(C)(C)C)C1.C[C@@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@@H](C#CC(C)(C)C)N1CCCCC1.C[C@@H]1CCCCN1CC#CC(C)(C)C.C[C@H](C#CC(C)(C)C)N1CC2CC2C1.C[C@H](C#CC(C)(C)C)N1CCCCC1.C[C@H]1CCCCN1CC#CC(C)(C)C.
What is the InChIKey of 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
The InChIKey is RGLBABNINHICKL-KXXRSJOJSA-N. The full InChI is InChI=1S/5C13H21N.7C13H23N.C12H21N/c3*1-10(5-6-13(2,3)4)14-8-11-7-12(11)9-14;1-13(2,3)6-4-7-14-8-5-11-9-12(11)10-14;1-12(2,3)5-4-9-14-10-8-13(11-14)6-7-13;1-12-7-5-9-14(11-12)10-6-8-13(2,3)4;3*1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;3*1-12(8-9-13(2,3)4)14-10-6-5-7-11-14;1-12(2,3)8-7-11-13-9-5-4-6-10-13/h3*10-12H,7-9H2,1-4H3;11-12H,5,7-10H2,1-3H3;6-11H2,1-3H3;12H,5,7,9-11H2,1-4H3;3*12H,5-6,8,10-11H2,1-4H3;3*12H,5-7,10-11H2,1-4H3;4-6,9-11H2,1-3H3/t2*10-,11?,12?;;;;;2*12-;;2*12-;;/m10....10.10../s1.
What are the key properties of 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine?
3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine has a molecular weight of 2489.23 g/mol, XLogP of 34.78, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-[(2R)-5,5-dimethylhex-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane;3-(5,5-dimethylhex-3-yn-2-yl)-3-azabicyclo[3.1.0]hexane;1-[(2S)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-[(2R)-5,5-dimethylhex-3-yn-2-yl]piperidine;1-(5,5-dimethylhex-3-yn-2-yl)piperidine;3-(4,4-dimethylpent-2-ynyl)-3-azabicyclo[4.1.0]heptane;5-(4,4-dimethylpent-2-ynyl)-5-azaspiro[2.4]heptane;1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)-3-methylpiperidine;(2S)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine;1-(4,4-dimethylpent-2-ynyl)piperidine is sourced from PubChem (CID 160618804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).