3-(2-adamantyl)pyrrolidine

C14H23N — CID 3012268

IUPAC3-(2-adamantyl)pyrrolidine
SMILESC1CC(C2C3CC4CC(C3)CC2C4)CN1
InChIInChI=1S/C14H23N/c1-2-15-8-11(1)14-12-4-9-3-10(6-12)7-13(14)5-9/h9-15H,1-8H2
InChIKeyIULGEPJXNLPTSZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.67
Rot. Bonds1

About 3-(2-adamantyl)pyrrolidine

3-(2-adamantyl)pyrrolidine (PubChem CID 3012268) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2-adamantyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-adamantyl)pyrrolidine
PubChem CID3012268
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2-adamantyl)pyrrolidine
SMILESC1CC(C2C3CC4CC(C3)CC2C4)CN1
InChIInChI=1S/C14H23N/c1-2-15-8-11(1)14-12-4-9-3-10(6-12)7-13(14)5-9/h9-15H,1-8H2
InChIKeyIULGEPJXNLPTSZ-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)pyrrolidine?
The IUPAC name of 3-(2-adamantyl)pyrrolidine (CID 3012268) is 3-(2-adamantyl)pyrrolidine.
What is the SMILES notation for 3-(2-adamantyl)pyrrolidine?
The canonical SMILES for 3-(2-adamantyl)pyrrolidine is C1CC(C2C3CC4CC(C3)CC2C4)CN1.
What is the InChIKey of 3-(2-adamantyl)pyrrolidine?
The InChIKey is IULGEPJXNLPTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-15-8-11(1)14-12-4-9-3-10(6-12)7-13(14)5-9/h9-15H,1-8H2.
What are the key properties of 3-(2-adamantyl)pyrrolidine?
3-(2-adamantyl)pyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)pyrrolidine is sourced from PubChem (CID 3012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).