(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane

C12H29N — CID 159737660

IUPAC(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane
SMILESC.C.CCN1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H21N.2CH4/c1-6-11-9(4)7(2)8(3)10(11)5;;/h7-10H,6H2,1-5H3;2*1H4/t7-,8+,9-,10+;;
InChIKeyNCAQEULYHYFZSA-DHNWFJROSA-N
MW187.37 g/mol
LogP3.64
Rot. Bonds1

About (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane

(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane (PubChem CID 159737660) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane.

Molecular Properties

Compound Name(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane
PubChem CID159737660
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Name(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane
SMILESC.C.CCN1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H21N.2CH4/c1-6-11-9(4)7(2)8(3)10(11)5;;/h7-10H,6H2,1-5H3;2*1H4/t7-,8+,9-,10+;;
InChIKeyNCAQEULYHYFZSA-DHNWFJROSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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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
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methyl 1-ethyl-3-methylaziridine-2-carboxylate
CID 45090005
(1-ethyl-4,5-dimethylpyrrolidin-2-yl)methanol
CID 58067546
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878
ethane;1-ethyl-2,4,6-trimethylpiperazine
CID 145006849
1-ethyl-2,6-dimethylpiperidin-4-amine
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(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane?
The IUPAC name of (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane (CID 159737660) is (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane.
What is the SMILES notation for (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane?
The canonical SMILES for (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane is C.C.CCN1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane?
The InChIKey is NCAQEULYHYFZSA-DHNWFJROSA-N. The full InChI is InChI=1S/C10H21N.2CH4/c1-6-11-9(4)7(2)8(3)10(11)5;;/h7-10H,6H2,1-5H3;2*1H4/t7-,8+,9-,10+;;.
What are the key properties of (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane?
(2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane has a molecular weight of 187.37 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-1-ethyl-2,3,4,5-tetramethylpyrrolidine;methane is sourced from PubChem (CID 159737660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).