(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine

C14H29N — CID 129452621

IUPAC(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine
SMILESCC[C@@H]1CCN[C@@H]1C[C@H](C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-6-12-7-8-15-13(12)9-11(2)10-14(3,4)5/h11-13,15H,6-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyUWIIMVSWLWCKND-YNEHKIRRSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds4

About (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine

(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine (PubChem CID 129452621) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine
PubChem CID129452621
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine
SMILESCC[C@@H]1CCN[C@@H]1C[C@H](C)CC(C)(C)C
InChIInChI=1S/C14H29N/c1-6-12-7-8-15-13(12)9-11(2)10-14(3,4)5/h11-13,15H,6-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyUWIIMVSWLWCKND-YNEHKIRRSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine?
The IUPAC name of (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine (CID 129452621) is (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine.
What is the SMILES notation for (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine?
The canonical SMILES for (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine is CC[C@@H]1CCN[C@@H]1C[C@H](C)CC(C)(C)C.
What is the InChIKey of (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine?
The InChIKey is UWIIMVSWLWCKND-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H29N/c1-6-12-7-8-15-13(12)9-11(2)10-14(3,4)5/h11-13,15H,6-10H2,1-5H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine?
(2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-2-[(2R)-2,4,4-trimethylpentyl]pyrrolidine is sourced from PubChem (CID 129452621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).