1-[4-(1-adamantyl)phenyl]pyrrolidine

C20H27N — CID 12510316

IUPAC1-[4-(1-adamantyl)phenyl]pyrrolidine
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1
InChIInChI=1S/C20H27N/c1-2-8-21(7-1)19-5-3-18(4-6-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h3-6,15-17H,1-2,7-14H2
InChIKeyWARVKVNZKVZBGC-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.75
Rot. Bonds2

About 1-[4-(1-adamantyl)phenyl]pyrrolidine

1-[4-(1-adamantyl)phenyl]pyrrolidine (PubChem CID 12510316) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenyl]pyrrolidine
PubChem CID12510316
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-[4-(1-adamantyl)phenyl]pyrrolidine
SMILESc1cc(C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1
InChIInChI=1S/C20H27N/c1-2-8-21(7-1)19-5-3-18(4-6-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h3-6,15-17H,1-2,7-14H2
InChIKeyWARVKVNZKVZBGC-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(1-adamantyl)phenyl]pyrrolidine (CID 12510316) is 1-[4-(1-adamantyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(1-adamantyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(1-adamantyl)phenyl]pyrrolidine is c1cc(C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1.
What is the InChIKey of 1-[4-(1-adamantyl)phenyl]pyrrolidine?
The InChIKey is WARVKVNZKVZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-8-21(7-1)19-5-3-18(4-6-19)20-12-15-9-16(13-20)11-17(10-15)14-20/h3-6,15-17H,1-2,7-14H2.
What are the key properties of 1-[4-(1-adamantyl)phenyl]pyrrolidine?
1-[4-(1-adamantyl)phenyl]pyrrolidine has a molecular weight of 281.44 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenyl]pyrrolidine is sourced from PubChem (CID 12510316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).