(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride

C19H26ClNO2 — CID 2827816

IUPAC(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride
SMILESCCc1nc(C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-16-17(5-4-12(2)20-16)22-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19;/h4-5,13-15H,3,6-11H2,1-2H3;1H
InChIKeyOAHOGGFADQVYER-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.50
Rot. Bonds3

About (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride

(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride (PubChem CID 2827816) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride
PubChem CID2827816
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride
SMILESCCc1nc(C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-16-17(5-4-12(2)20-16)22-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19;/h4-5,13-15H,3,6-11H2,1-2H3;1H
InChIKeyOAHOGGFADQVYER-UHFFFAOYSA-N
XLogP4.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride?
The IUPAC name of (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride (CID 2827816) is (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride.
What is the SMILES notation for (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride?
The canonical SMILES for (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride is CCc1nc(C)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride?
The InChIKey is OAHOGGFADQVYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-3-16-17(5-4-12(2)20-16)22-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19;/h4-5,13-15H,3,6-11H2,1-2H3;1H.
What are the key properties of (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride?
(2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-methyl-3-pyridinyl) adamantane-1-carboxylate;hydrochloride is sourced from PubChem (CID 2827816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).