2-propyladamantan-2-amine;hydrochloride

C13H24ClN — CID 44562806

IUPAC2-propyladamantan-2-amine;hydrochloride
SMILESCCCC1(N)C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12H,2-8,14H2,1H3;1H
InChIKeyRJUFFHRIPACUCZ-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.36
Rot. Bonds2

About 2-propyladamantan-2-amine;hydrochloride

2-propyladamantan-2-amine;hydrochloride (PubChem CID 44562806) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 2-propyladamantan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-propyladamantan-2-amine;hydrochloride
PubChem CID44562806
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name2-propyladamantan-2-amine;hydrochloride
SMILESCCCC1(N)C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12H,2-8,14H2,1H3;1H
InChIKeyRJUFFHRIPACUCZ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyladamantan-2-amine;hydrochloride?
The IUPAC name of 2-propyladamantan-2-amine;hydrochloride (CID 44562806) is 2-propyladamantan-2-amine;hydrochloride.
What is the SMILES notation for 2-propyladamantan-2-amine;hydrochloride?
The canonical SMILES for 2-propyladamantan-2-amine;hydrochloride is CCCC1(N)C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of 2-propyladamantan-2-amine;hydrochloride?
The InChIKey is RJUFFHRIPACUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.ClH/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12H,2-8,14H2,1H3;1H.
What are the key properties of 2-propyladamantan-2-amine;hydrochloride?
2-propyladamantan-2-amine;hydrochloride has a molecular weight of 229.79 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyladamantan-2-amine;hydrochloride is sourced from PubChem (CID 44562806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).