N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride

C19H35ClN2 — CID 16682442

IUPACN-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CC(NC2C3CC4CC(C3)CC2C4)CC(C)(C)N1.Cl
InChIInChI=1S/C19H34N2.ClH/c1-18(2)10-16(11-19(3,4)21-18)20-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,20-21H,5-11H2,1-4H3;1H
InChIKeyILKRYMVYRWRLMH-UHFFFAOYSA-N
MW326.96 g/mol
LogP4.13
Rot. Bonds2

About N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride

N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride (PubChem CID 16682442) has the molecular formula C19H35ClN2 and a molecular weight of 326.96 g/mol. Its IUPAC name is N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride
PubChem CID16682442
Molecular FormulaC19H35ClN2
Molecular Weight326.96 g/mol
Exact Mass326.25
IUPAC NameN-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CC(NC2C3CC4CC(C3)CC2C4)CC(C)(C)N1.Cl
InChIInChI=1S/C19H34N2.ClH/c1-18(2)10-16(11-19(3,4)21-18)20-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,20-21H,5-11H2,1-4H3;1H
InChIKeyILKRYMVYRWRLMH-UHFFFAOYSA-N
XLogP4.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.96
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride (CID 16682442) is N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride is CC1(C)CC(NC2C3CC4CC(C3)CC2C4)CC(C)(C)N1.Cl.
What is the InChIKey of N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride?
The InChIKey is ILKRYMVYRWRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2.ClH/c1-18(2)10-16(11-19(3,4)21-18)20-17-14-6-12-5-13(8-14)9-15(17)7-12;/h12-17,20-21H,5-11H2,1-4H3;1H.
What are the key properties of N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride?
N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride has a molecular weight of 326.96 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2,2,6,6-tetramethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 16682442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).