1-(2-adamantyl)pyrrolidine;hydrochloride

C14H24ClN — CID 12828801

IUPAC1-(2-adamantyl)pyrrolidine;hydrochloride
SMILESC1CCN(C2C3CC4CC(C3)CC2C4)C1.Cl
InChIInChI=1S/C14H23N.ClH/c1-2-4-15(3-1)14-12-6-10-5-11(8-12)9-13(14)7-10;/h10-14H,1-9H2;1H
InChIKeyXZHLOYGDUZMNSM-UHFFFAOYSA-N
MW241.81 g/mol
LogP3.33
Rot. Bonds1

About 1-(2-adamantyl)pyrrolidine;hydrochloride

1-(2-adamantyl)pyrrolidine;hydrochloride (PubChem CID 12828801) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is 1-(2-adamantyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(2-adamantyl)pyrrolidine;hydrochloride
PubChem CID12828801
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name1-(2-adamantyl)pyrrolidine;hydrochloride
SMILESC1CCN(C2C3CC4CC(C3)CC2C4)C1.Cl
InChIInChI=1S/C14H23N.ClH/c1-2-4-15(3-1)14-12-6-10-5-11(8-12)9-13(14)7-10;/h10-14H,1-9H2;1H
InChIKeyXZHLOYGDUZMNSM-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(2-adamantyl)pyrrolidine;hydrochloride (CID 12828801) is 1-(2-adamantyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(2-adamantyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(2-adamantyl)pyrrolidine;hydrochloride is C1CCN(C2C3CC4CC(C3)CC2C4)C1.Cl.
What is the InChIKey of 1-(2-adamantyl)pyrrolidine;hydrochloride?
The InChIKey is XZHLOYGDUZMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-2-4-15(3-1)14-12-6-10-5-11(8-12)9-13(14)7-10;/h10-14H,1-9H2;1H.
What are the key properties of 1-(2-adamantyl)pyrrolidine;hydrochloride?
1-(2-adamantyl)pyrrolidine;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 12828801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).