(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine

C16H33N — CID 159408272

IUPAC(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine
SMILESCC(C)C(C)(C(C)C)N1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C16H33N/c1-10(2)16(9,11(3)4)17-14(7)12(5)13(6)15(17)8/h10-15H,1-9H3/t12-,13+,14-,15+
InChIKeyPDYLBQDJFGSUIS-NMWPEEMBSA-N
MW239.45 g/mol
LogP4.42
Rot. Bonds3

About (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine

(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine (PubChem CID 159408272) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine
PubChem CID159408272
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine
SMILESCC(C)C(C)(C(C)C)N1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C16H33N/c1-10(2)16(9,11(3)4)17-14(7)12(5)13(6)15(17)8/h10-15H,1-9H3/t12-,13+,14-,15+
InChIKeyPDYLBQDJFGSUIS-NMWPEEMBSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine?
The IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine (CID 159408272) is (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine.
What is the SMILES notation for (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine?
The canonical SMILES for (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine is CC(C)C(C)(C(C)C)N1[C@H](C)[C@H](C)[C@H](C)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine?
The InChIKey is PDYLBQDJFGSUIS-NMWPEEMBSA-N. The full InChI is InChI=1S/C16H33N/c1-10(2)16(9,11(3)4)17-14(7)12(5)13(6)15(17)8/h10-15H,1-9H3/t12-,13+,14-,15+.
What are the key properties of (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine?
(2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine has a molecular weight of 239.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2,3,4,5-tetramethyl-1-(2,3,4-trimethylpentan-3-yl)pyrrolidine is sourced from PubChem (CID 159408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).