3-(2-adamantyl)-1-ethylpyrrolidine

C16H27N — CID 3012262

IUPAC3-(2-adamantyl)-1-ethylpyrrolidine
SMILESCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C16H27N/c1-2-17-4-3-13(10-17)16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,2-10H2,1H3
InChIKeyZTPIYOZDCMONDI-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.40
Rot. Bonds2

About 3-(2-adamantyl)-1-ethylpyrrolidine

3-(2-adamantyl)-1-ethylpyrrolidine (PubChem CID 3012262) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-ethylpyrrolidine.

Molecular Properties

Compound Name3-(2-adamantyl)-1-ethylpyrrolidine
PubChem CID3012262
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(2-adamantyl)-1-ethylpyrrolidine
SMILESCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C16H27N/c1-2-17-4-3-13(10-17)16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,2-10H2,1H3
InChIKeyZTPIYOZDCMONDI-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2-adamantyl)-1-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-ethylpyrrolidine?
The IUPAC name of 3-(2-adamantyl)-1-ethylpyrrolidine (CID 3012262) is 3-(2-adamantyl)-1-ethylpyrrolidine.
What is the SMILES notation for 3-(2-adamantyl)-1-ethylpyrrolidine?
The canonical SMILES for 3-(2-adamantyl)-1-ethylpyrrolidine is CCN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 3-(2-adamantyl)-1-ethylpyrrolidine?
The InChIKey is ZTPIYOZDCMONDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-17-4-3-13(10-17)16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,2-10H2,1H3.
What are the key properties of 3-(2-adamantyl)-1-ethylpyrrolidine?
3-(2-adamantyl)-1-ethylpyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-ethylpyrrolidine is sourced from PubChem (CID 3012262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).