3-(2-adamantyl)-1-propylpyrrolidine

C17H29N — CID 3012263

IUPAC3-(2-adamantyl)-1-propylpyrrolidine
SMILESCCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H29N/c1-2-4-18-5-3-14(11-18)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,2-11H2,1H3
InChIKeyKXVCFBBFQFJYJW-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.79
Rot. Bonds3

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

3-(2-adamantyl)-1-propylpyrrolidine (PubChem CID 3012263) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-propylpyrrolidine.

Molecular Properties

Compound Name3-(2-adamantyl)-1-propylpyrrolidine
PubChem CID3012263
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-(2-adamantyl)-1-propylpyrrolidine
SMILESCCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H29N/c1-2-4-18-5-3-14(11-18)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,2-11H2,1H3
InChIKeyKXVCFBBFQFJYJW-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.79
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-propylpyrrolidine?
The IUPAC name of 3-(2-adamantyl)-1-propylpyrrolidine (CID 3012263) is 3-(2-adamantyl)-1-propylpyrrolidine.
What is the SMILES notation for 3-(2-adamantyl)-1-propylpyrrolidine?
The canonical SMILES for 3-(2-adamantyl)-1-propylpyrrolidine is CCCN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 3-(2-adamantyl)-1-propylpyrrolidine?
The InChIKey is KXVCFBBFQFJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-2-4-18-5-3-14(11-18)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,2-11H2,1H3.
What are the key properties of 3-(2-adamantyl)-1-propylpyrrolidine?
3-(2-adamantyl)-1-propylpyrrolidine has a molecular weight of 247.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-propylpyrrolidine is sourced from PubChem (CID 3012263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).