2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine

C20H36N2 — CID 3012266

IUPAC2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C20H36N2/c1-3-21(4-2)7-8-22-6-5-17(14-22)20-18-10-15-9-16(12-18)13-19(20)11-15/h15-20H,3-14H2,1-2H3
InChIKeyOSXRTDGWTFHHGS-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.72
Rot. Bonds6

About 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine

2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine (PubChem CID 3012266) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine
PubChem CID3012266
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C20H36N2/c1-3-21(4-2)7-8-22-6-5-17(14-22)20-18-10-15-9-16(12-18)13-19(20)11-15/h15-20H,3-14H2,1-2H3
InChIKeyOSXRTDGWTFHHGS-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine 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 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine (CID 3012266) is 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine is CCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine?
The InChIKey is OSXRTDGWTFHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-3-21(4-2)7-8-22-6-5-17(14-22)20-18-10-15-9-16(12-18)13-19(20)11-15/h15-20H,3-14H2,1-2H3.
What are the key properties of 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine?
2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine has a molecular weight of 304.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 3012266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).