2-(1-adamantyl)-1-ethylpyrrolidine

C16H27N — CID 512341

IUPAC2-(1-adamantyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-17-5-3-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,2-11H2,1H3
InChIKeyZOZSPXRFPOGNPG-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.69
Rot. Bonds2

About 2-(1-adamantyl)-1-ethylpyrrolidine

2-(1-adamantyl)-1-ethylpyrrolidine (PubChem CID 512341) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-ethylpyrrolidine
PubChem CID512341
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-(1-adamantyl)-1-ethylpyrrolidine
SMILESCCN1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-17-5-3-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,2-11H2,1H3
InChIKeyZOZSPXRFPOGNPG-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-ethylpyrrolidine?
The IUPAC name of 2-(1-adamantyl)-1-ethylpyrrolidine (CID 512341) is 2-(1-adamantyl)-1-ethylpyrrolidine.
What is the SMILES notation for 2-(1-adamantyl)-1-ethylpyrrolidine?
The canonical SMILES for 2-(1-adamantyl)-1-ethylpyrrolidine is CCN1CCCC1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-ethylpyrrolidine?
The InChIKey is ZOZSPXRFPOGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-17-5-3-4-15(17)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,2-11H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-ethylpyrrolidine?
2-(1-adamantyl)-1-ethylpyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-ethylpyrrolidine is sourced from PubChem (CID 512341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).