1-butyl-4-tert-butyl-2-ethylpyrrolidine

C14H29N — CID 15503456

IUPAC1-butyl-4-tert-butyl-2-ethylpyrrolidine
SMILESCCCCN1CC(C(C)(C)C)CC1CC
InChIInChI=1S/C14H29N/c1-6-8-9-15-11-12(14(3,4)5)10-13(15)7-2/h12-13H,6-11H2,1-5H3
InChIKeyXRNCOZJDDATKHC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds4

About 1-butyl-4-tert-butyl-2-ethylpyrrolidine

1-butyl-4-tert-butyl-2-ethylpyrrolidine (PubChem CID 15503456) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-butyl-4-tert-butyl-2-ethylpyrrolidine.

Molecular Properties

Compound Name1-butyl-4-tert-butyl-2-ethylpyrrolidine
PubChem CID15503456
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-butyl-4-tert-butyl-2-ethylpyrrolidine
SMILESCCCCN1CC(C(C)(C)C)CC1CC
InChIInChI=1S/C14H29N/c1-6-8-9-15-11-12(14(3,4)5)10-13(15)7-2/h12-13H,6-11H2,1-5H3
InChIKeyXRNCOZJDDATKHC-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-tert-butyl-2-ethylpyrrolidine?
The IUPAC name of 1-butyl-4-tert-butyl-2-ethylpyrrolidine (CID 15503456) is 1-butyl-4-tert-butyl-2-ethylpyrrolidine.
What is the SMILES notation for 1-butyl-4-tert-butyl-2-ethylpyrrolidine?
The canonical SMILES for 1-butyl-4-tert-butyl-2-ethylpyrrolidine is CCCCN1CC(C(C)(C)C)CC1CC.
What is the InChIKey of 1-butyl-4-tert-butyl-2-ethylpyrrolidine?
The InChIKey is XRNCOZJDDATKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-8-9-15-11-12(14(3,4)5)10-13(15)7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-butyl-4-tert-butyl-2-ethylpyrrolidine?
1-butyl-4-tert-butyl-2-ethylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butyl-2-ethylpyrrolidine is sourced from PubChem (CID 15503456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).