2-tert-butyl-1-ethylpyrrolidine

C10H21N — CID 23529379

IUPAC2-tert-butyl-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-11-8-6-7-9(11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyUFJXNIZSKZXHTI-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds1

About 2-tert-butyl-1-ethylpyrrolidine

2-tert-butyl-1-ethylpyrrolidine (PubChem CID 23529379) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-tert-butyl-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-ethylpyrrolidine
PubChem CID23529379
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-tert-butyl-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)(C)C
InChIInChI=1S/C10H21N/c1-5-11-8-6-7-9(11)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyUFJXNIZSKZXHTI-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethylpyrrolidine?
The IUPAC name of 2-tert-butyl-1-ethylpyrrolidine (CID 23529379) is 2-tert-butyl-1-ethylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-ethylpyrrolidine?
The canonical SMILES for 2-tert-butyl-1-ethylpyrrolidine is CCN1CCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-ethylpyrrolidine?
The InChIKey is UFJXNIZSKZXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-11-8-6-7-9(11)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-1-ethylpyrrolidine?
2-tert-butyl-1-ethylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethylpyrrolidine is sourced from PubChem (CID 23529379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).