2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane

C54H118N6 — CID 161077356

IUPAC2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane
SMILESCC.CC.CN1CCC(C(C)(C)C)C1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.C[C@@H]1CCCN1C.C[C@H]1CCCN1C
InChIInChI=1S/2C10H21N.2C9H19N.2C6H13N.2C2H6/c1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;2*1-6-4-3-5-7(6)2;2*1-2/h2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*6H,3-5H2,1-2H3;2*1-2H3/t;;;;2*6-;;/m....10../s1
InChIKeyUFLLLFVBVQCMRD-TZVPUFCISA-N
MW851.58 g/mol
LogP13.26
Rot. Bonds

About 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane

2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane (PubChem CID 161077356) has the molecular formula C54H118N6 and a molecular weight of 851.58 g/mol. Its IUPAC name is 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane
PubChem CID161077356
Molecular FormulaC54H118N6
Molecular Weight851.58 g/mol
Exact Mass850.94
IUPAC Name2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane
SMILESCC.CC.CN1CCC(C(C)(C)C)C1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.C[C@@H]1CCCN1C.C[C@H]1CCCN1C
InChIInChI=1S/2C10H21N.2C9H19N.2C6H13N.2C2H6/c1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;2*1-6-4-3-5-7(6)2;2*1-2/h2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*6H,3-5H2,1-2H3;2*1-2H3/t;;;;2*6-;;/m....10../s1
InChIKeyUFLLLFVBVQCMRD-TZVPUFCISA-N
XLogP13.26
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.58
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane with MolForge

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Related Compounds

2,3-Diethyl-8-[3-[2-ethyl-3-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-5-azoniaspiro[4.5]decan-8-yl]propyl]-5-azoniaspiro[4.5]decane
CID 59080082
(3R)-1-ethyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-ethyl-3-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)piperidine;(2S)-1-methyl-2-(2-methylpropyl)pyrrolidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;(3R)-1-methyl-3-(2-methylpropyl)pyrrolidine;(3S)-1-methyl-3-(2-methylpropyl)pyrrolidine
CID 157574184
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine
CID 157735674
2,3-Ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;1,2-ditert-butyl-5-methylpyrrolidine;bis(1,2-ditert-butylpyrrolidine);ethane
CID 158546855
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane
CID 158594450
bis(4-tert-butyl-1-methylpiperidine);3-tert-butyl-1-methylpyrrolidine;(3S)-3-tert-butyl-1-methylpyrrolidine;(3R)-1,3-dimethylpyrrolidine;(3S)-1,3-dimethylpyrrolidine;ethane
CID 159133446
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
CID 160114554
(2S)-1-(3,3-dimethylbutyl)-2-methylpyrrolidine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;(2R,4S)-2-(2,2-dimethylpropyl)-1,4-dimethylpyrrolidine;(2S)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-methylpyrrolidine;ethane;N,N,3,3-tetramethylbutan-1-amine;N,3,3-trimethyl-N-(trideuteriomethyl)butan-1-amine
CID 160135877
1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)azetidine;1-(4,4-dimethylpentyl)piperidine;(2S)-2-(2,2-dimethylpropyl)-1-ethylpyrrolidine;(2R)-2-(2,2-dimethylpropyl)-1-ethylpyrrolidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;(3R)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 160146670
2,3-Di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
CID 160401912
2,3-Ditert-butyl-2-azabicyclo[3.1.0]hexane;2,3-ditert-butyl-3-azabicyclo[3.1.0]hexane;1,2-ditert-butyl-4-fluoropyrrolidine;1,2-ditert-butylpyrrolidine
CID 161359078
4-Tert-butyl-1-(2,2-dimethylpropyl)piperidine;2-tert-butyl-1-(2,2-dimethylpropyl)pyrrolidine;4-tert-butyl-1-(2-methylpropyl)piperidine;2-tert-butyl-1-(2-methylpropyl)pyrrolidine;methane
CID 162200193

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane?
The IUPAC name of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane (CID 161077356) is 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane.
What is the SMILES notation for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane?
The canonical SMILES for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane is CC.CC.CN1CCC(C(C)(C)C)C1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.C[C@@H]1CCCN1C.C[C@H]1CCCN1C.
What is the InChIKey of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane?
The InChIKey is UFLLLFVBVQCMRD-TZVPUFCISA-N. The full InChI is InChI=1S/2C10H21N.2C9H19N.2C6H13N.2C2H6/c1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;2*1-6-4-3-5-7(6)2;2*1-2/h2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*6H,3-5H2,1-2H3;2*1-2H3/t;;;;2*6-;;/m....10../s1.
What are the key properties of 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane?
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane has a molecular weight of 851.58 g/mol, XLogP of 13.26, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;ethane is sourced from PubChem (CID 161077356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).