4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride

C17H24ClN — CID 44657953

IUPAC4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)cc(C)n1.Cl
InChIInChI=1S/C17H23N.ClH/c1-11-3-16(4-12(2)18-11)17-8-13-5-14(9-17)7-15(6-13)10-17;/h3-4,13-15H,5-10H2,1-2H3;1H
InChIKeyWMKCWOUDKIUKMA-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.59
Rot. Bonds1

About 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride

4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride (PubChem CID 44657953) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride.

Molecular Properties

Compound Name4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
PubChem CID44657953
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)cc(C)n1.Cl
InChIInChI=1S/C17H23N.ClH/c1-11-3-16(4-12(2)18-11)17-8-13-5-14(9-17)7-15(6-13)10-17;/h3-4,13-15H,5-10H2,1-2H3;1H
InChIKeyWMKCWOUDKIUKMA-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diphenylpyridine
CID 72920
2,6-Di-tert-butyl-4-methylpyridine
CID 98898
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
2-Methyl-6-(4-phenylpent-1-ynyl)pyridine
CID 11736483
1,2,4,6-Tetraphenylpyridin-1-ium perchlorate
CID 12477066
2,6-bis[(E)-2-phenylethenyl]pyridine
CID 5899185
2,4,6-Triphenylpyridine
CID 136370
2,4,6-Tri-tert-butylpyridine
CID 140675
2-Methyl-4,6-diphenylpyridine
CID 618669
16-Azabicyclo10.3.1hexadeca-1(16),12,14-triene, 3-methyl-
CID 5319970
5,6,7,8-Tetrahydro-2,4-dimethylquinoline
CID 5321849

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride?
The IUPAC name of 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride (CID 44657953) is 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride.
What is the SMILES notation for 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride?
The canonical SMILES for 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride is Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(C)n1.Cl.
What is the InChIKey of 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride?
The InChIKey is WMKCWOUDKIUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.ClH/c1-11-3-16(4-12(2)18-11)17-8-13-5-14(9-17)7-15(6-13)10-17;/h3-4,13-15H,5-10H2,1-2H3;1H.
What are the key properties of 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride?
4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride is sourced from PubChem (CID 44657953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).