(2S,4R)-2,4-diethyl-1-methylpyrrolidine

C9H19N — CID 176937833

IUPAC(2S,4R)-2,4-diethyl-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@H](CC)N(C)C1
InChIInChI=1S/C9H19N/c1-4-8-6-9(5-2)10(3)7-8/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJULFETBVVPWKJX-BDAKNGLRSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds2

About (2S,4R)-2,4-diethyl-1-methylpyrrolidine

(2S,4R)-2,4-diethyl-1-methylpyrrolidine (PubChem CID 176937833) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S,4R)-2,4-diethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2,4-diethyl-1-methylpyrrolidine
PubChem CID176937833
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S,4R)-2,4-diethyl-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@H](CC)N(C)C1
InChIInChI=1S/C9H19N/c1-4-8-6-9(5-2)10(3)7-8/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJULFETBVVPWKJX-BDAKNGLRSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4-diethyl-1-methylpyrrolidine?
The IUPAC name of (2S,4R)-2,4-diethyl-1-methylpyrrolidine (CID 176937833) is (2S,4R)-2,4-diethyl-1-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-2,4-diethyl-1-methylpyrrolidine?
The canonical SMILES for (2S,4R)-2,4-diethyl-1-methylpyrrolidine is CC[C@@H]1C[C@H](CC)N(C)C1.
What is the InChIKey of (2S,4R)-2,4-diethyl-1-methylpyrrolidine?
The InChIKey is JULFETBVVPWKJX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8-6-9(5-2)10(3)7-8/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-2,4-diethyl-1-methylpyrrolidine?
(2S,4R)-2,4-diethyl-1-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4-diethyl-1-methylpyrrolidine is sourced from PubChem (CID 176937833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).