2-(2-ethylhexyl)pyrrolidine

C12H25N — CID 22627827

IUPAC2-(2-ethylhexyl)pyrrolidine
SMILESCCCCC(CC)CC1CCCN1
InChIInChI=1S/C12H25N/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h11-13H,3-10H2,1-2H3
InChIKeyVKIDPFUHXWSYIO-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds6

About 2-(2-ethylhexyl)pyrrolidine

2-(2-ethylhexyl)pyrrolidine (PubChem CID 22627827) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-(2-ethylhexyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-ethylhexyl)pyrrolidine
PubChem CID22627827
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-(2-ethylhexyl)pyrrolidine
SMILESCCCCC(CC)CC1CCCN1
InChIInChI=1S/C12H25N/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h11-13H,3-10H2,1-2H3
InChIKeyVKIDPFUHXWSYIO-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)pyrrolidine?
The IUPAC name of 2-(2-ethylhexyl)pyrrolidine (CID 22627827) is 2-(2-ethylhexyl)pyrrolidine.
What is the SMILES notation for 2-(2-ethylhexyl)pyrrolidine?
The canonical SMILES for 2-(2-ethylhexyl)pyrrolidine is CCCCC(CC)CC1CCCN1.
What is the InChIKey of 2-(2-ethylhexyl)pyrrolidine?
The InChIKey is VKIDPFUHXWSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)pyrrolidine?
2-(2-ethylhexyl)pyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)pyrrolidine is sourced from PubChem (CID 22627827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).