2-(1-adamantyl)ethanamine;hydrochloride

C12H22ClN — CID 2771138

IUPAC2-(1-adamantyl)ethanamine;hydrochloride
SMILESCl.NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N.ClH/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,1-8,13H2;1H
InChIKeyGKRPMKRIQVEDAE-UHFFFAOYSA-N
MW215.77 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-adamantyl)ethanamine;hydrochloride

2-(1-adamantyl)ethanamine;hydrochloride (PubChem CID 2771138) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-(1-adamantyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)ethanamine;hydrochloride
PubChem CID2771138
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-(1-adamantyl)ethanamine;hydrochloride
SMILESCl.NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N.ClH/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,1-8,13H2;1H
InChIKeyGKRPMKRIQVEDAE-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-adamantyl)ethanamine;hydrochloride (CID 2771138) is 2-(1-adamantyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-adamantyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-adamantyl)ethanamine;hydrochloride is Cl.NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethanamine;hydrochloride?
The InChIKey is GKRPMKRIQVEDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12;/h9-11H,1-8,13H2;1H.
What are the key properties of 2-(1-adamantyl)ethanamine;hydrochloride?
2-(1-adamantyl)ethanamine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethanamine;hydrochloride is sourced from PubChem (CID 2771138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).