1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride

C14H26ClN — CID 2834551

IUPAC1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride
SMILESCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C14H25N.ClH/c1-10(15)14-6-11-4-12(2,8-14)7-13(3,5-11)9-14;/h10-11H,4-9,15H2,1-3H3;1H
InChIKeyQVFNIKYWULXIHA-UHFFFAOYSA-N
MW243.82 g/mol
LogP3.75
Rot. Bonds1

About 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride

1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride (PubChem CID 2834551) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride
PubChem CID2834551
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC Name1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride
SMILESCC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C14H25N.ClH/c1-10(15)14-6-11-4-12(2,8-14)7-13(3,5-11)9-14;/h10-11H,4-9,15H2,1-3H3;1H
InChIKeyQVFNIKYWULXIHA-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride (CID 2834551) is 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride is CC(N)C12CC3CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride?
The InChIKey is QVFNIKYWULXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N.ClH/c1-10(15)14-6-11-4-12(2,8-14)7-13(3,5-11)9-14;/h10-11H,4-9,15H2,1-3H3;1H.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride?
1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride has a molecular weight of 243.82 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)ethanamine;hydrochloride is sourced from PubChem (CID 2834551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).