3-(2-adamantyl)-1-methylpyrrolidine

C15H25N — CID 3012261

IUPAC3-(2-adamantyl)-1-methylpyrrolidine
SMILESCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25N/c1-16-3-2-12(9-16)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15H,2-9H2,1H3
InChIKeyDVKCUCTVNFOTIM-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.01
Rot. Bonds1

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

3-(2-adamantyl)-1-methylpyrrolidine (PubChem CID 3012261) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-adamantyl)-1-methylpyrrolidine
PubChem CID3012261
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-(2-adamantyl)-1-methylpyrrolidine
SMILESCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C15H25N/c1-16-3-2-12(9-16)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15H,2-9H2,1H3
InChIKeyDVKCUCTVNFOTIM-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-methylpyrrolidine?
The IUPAC name of 3-(2-adamantyl)-1-methylpyrrolidine (CID 3012261) is 3-(2-adamantyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(2-adamantyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(2-adamantyl)-1-methylpyrrolidine is CN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 3-(2-adamantyl)-1-methylpyrrolidine?
The InChIKey is DVKCUCTVNFOTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-16-3-2-12(9-16)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15H,2-9H2,1H3.
What are the key properties of 3-(2-adamantyl)-1-methylpyrrolidine?
3-(2-adamantyl)-1-methylpyrrolidine has a molecular weight of 219.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-methylpyrrolidine is sourced from PubChem (CID 3012261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).