4-(2-adamantyl)-2,2,5-trimethylpyrrolidine

C17H29N — CID 167102165

IUPAC4-(2-adamantyl)-2,2,5-trimethylpyrrolidine
SMILESCC1NC(C)(C)CC1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29N/c1-10-15(9-17(2,3)18-10)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16,18H,4-9H2,1-3H3
InChIKeyYUCARHQCHACXCJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.84
Rot. Bonds1

About 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine

4-(2-adamantyl)-2,2,5-trimethylpyrrolidine (PubChem CID 167102165) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name4-(2-adamantyl)-2,2,5-trimethylpyrrolidine
PubChem CID167102165
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(2-adamantyl)-2,2,5-trimethylpyrrolidine
SMILESCC1NC(C)(C)CC1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29N/c1-10-15(9-17(2,3)18-10)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16,18H,4-9H2,1-3H3
InChIKeyYUCARHQCHACXCJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine?
The IUPAC name of 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine (CID 167102165) is 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine.
What is the SMILES notation for 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine?
The canonical SMILES for 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine is CC1NC(C)(C)CC1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine?
The InChIKey is YUCARHQCHACXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-10-15(9-17(2,3)18-10)16-13-5-11-4-12(7-13)8-14(16)6-11/h10-16,18H,4-9H2,1-3H3.
What are the key properties of 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine?
4-(2-adamantyl)-2,2,5-trimethylpyrrolidine has a molecular weight of 247.43 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-2,2,5-trimethylpyrrolidine is sourced from PubChem (CID 167102165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).