1-ethyl-2-propan-2-ylpyrrolidine

C9H19N — CID 20700872

IUPAC1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CCCC1C(C)C
InChIInChI=1S/C9H19N/c1-4-10-7-5-6-9(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyYXVCOEVVPGNRQX-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds2

About 1-ethyl-2-propan-2-ylpyrrolidine

1-ethyl-2-propan-2-ylpyrrolidine (PubChem CID 20700872) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylpyrrolidine
PubChem CID20700872
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-ethyl-2-propan-2-ylpyrrolidine
SMILESCCN1CCCC1C(C)C
InChIInChI=1S/C9H19N/c1-4-10-7-5-6-9(10)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyYXVCOEVVPGNRQX-UHFFFAOYSA-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 1-ethyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-2-propan-2-ylpyrrolidine (CID 20700872) is 1-ethyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-2-propan-2-ylpyrrolidine is CCN1CCCC1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylpyrrolidine?
The InChIKey is YXVCOEVVPGNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-10-7-5-6-9(10)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylpyrrolidine?
1-ethyl-2-propan-2-ylpyrrolidine 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 1-ethyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 20700872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).