ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine

C100H253N3 — CID 157060694

IUPACethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCN1[C@H](C)[C@H](C)C[C@H](C)[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)N(CN2[C@H](C)[C@H](C)C[C@H](C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C19H38N2.C11H23N.3C10H20.C3H8.12C2H6.13CH4/c1-12-9-13(2)17(6)20(16(12)5)11-21-18(7)14(3)10-15(4)19(21)8;1-6-12-10(4)8(2)7-9(3)11(12)5;3*1-7-5-9(3)10(4)6-8(7)2;1-3-2;12*1-2;;;;;;;;;;;;;/h12-19H,9-11H2,1-8H3;8-11H,6-7H2,1-5H3;3*7-10H,5-6H2,1-4H3;3H2,1-2H3;12*1-2H3;13*1H4/t12-,13+,14-,15+,16-,17+,18-,19+;8-,9+,10-,11+;3*7-,8+,9+,10-;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyABHJYMOZKUDVIW-IXWFEDILSA-N
MW1498.14 g/mol
LogP39.19
Rot. Bonds3

About ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine

ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine (PubChem CID 157060694) has the molecular formula C100H253N3 and a molecular weight of 1498.14 g/mol. Its IUPAC name is ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Nameethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine
PubChem CID157060694
Molecular FormulaC100H253N3
Molecular Weight1498.14 g/mol
Exact Mass1496.99
IUPAC Nameethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCN1[C@H](C)[C@H](C)C[C@H](C)[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)N(CN2[C@H](C)[C@H](C)C[C@H](C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C19H38N2.C11H23N.3C10H20.C3H8.12C2H6.13CH4/c1-12-9-13(2)17(6)20(16(12)5)11-21-18(7)14(3)10-15(4)19(21)8;1-6-12-10(4)8(2)7-9(3)11(12)5;3*1-7-5-9(3)10(4)6-8(7)2;1-3-2;12*1-2;;;;;;;;;;;;;/h12-19H,9-11H2,1-8H3;8-11H,6-7H2,1-5H3;3*7-10H,5-6H2,1-4H3;3H2,1-2H3;12*1-2H3;13*1H4/t12-,13+,14-,15+,16-,17+,18-,19+;8-,9+,10-,11+;3*7-,8+,9+,10-;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyABHJYMOZKUDVIW-IXWFEDILSA-N
XLogP39.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001498.14
LogP ≤ 539.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine?
The IUPAC name of ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine (CID 157060694) is ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine.
What is the SMILES notation for ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine?
The canonical SMILES for ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine is C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCN1[C@H](C)[C@H](C)C[C@H](C)[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)C[C@@H]1C.C[C@@H]1C[C@H](C)[C@H](C)N(CN2[C@H](C)[C@H](C)C[C@H](C)[C@@H]2C)[C@@H]1C.
What is the InChIKey of ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine?
The InChIKey is ABHJYMOZKUDVIW-IXWFEDILSA-N. The full InChI is InChI=1S/C19H38N2.C11H23N.3C10H20.C3H8.12C2H6.13CH4/c1-12-9-13(2)17(6)20(16(12)5)11-21-18(7)14(3)10-15(4)19(21)8;1-6-12-10(4)8(2)7-9(3)11(12)5;3*1-7-5-9(3)10(4)6-8(7)2;1-3-2;12*1-2;;;;;;;;;;;;;/h12-19H,9-11H2,1-8H3;8-11H,6-7H2,1-5H3;3*7-10H,5-6H2,1-4H3;3H2,1-2H3;12*1-2H3;13*1H4/t12-,13+,14-,15+,16-,17+,18-,19+;8-,9+,10-,11+;3*7-,8+,9+,10-;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine?
ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine has a molecular weight of 1498.14 g/mol, XLogP of 39.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R,5S,6S)-1-ethyl-2,3,5,6-tetramethylpiperidine;methane;propane;tris((1R,2S,4R,5S)-1,2,4,5-tetramethylcyclohexane);(2R,3R,5S,6S)-2,3,5,6-tetramethyl-1-[[(2R,3R,5S,6S)-2,3,5,6-tetramethylpiperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 157060694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).