4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine

C15H23NO — CID 21279082

IUPAC4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine
SMILESCc1cc(C(C)OCC2CCCCC2)ccn1
InChIInChI=1S/C15H23NO/c1-12-10-15(8-9-16-12)13(2)17-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3
InChIKeyHZIHUUFXRXGBPK-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.05
Rot. Bonds4

About 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine

4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine (PubChem CID 21279082) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine
PubChem CID21279082
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine
SMILESCc1cc(C(C)OCC2CCCCC2)ccn1
InChIInChI=1S/C15H23NO/c1-12-10-15(8-9-16-12)13(2)17-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3
InChIKeyHZIHUUFXRXGBPK-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Doxylamine
CID 3162
2-Pyridinealdoxime O-benzyl ether
CID 9562669
alpha-Phenyl-4-pyridinemethanol
CID 98305
4-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
CID 96307
Phenyl(pyridin-2-yl)methanol
CID 315585
Pyridine, 2-(2-(1-methylethoxy)ethyl)-
CID 116853
o-Benzylnicotinaldoxime
CID 248756
2-(Benzyloxyiminomethyl)pyridine
CID 98778
Pyridine, 2-(2-(4-methoxyphenyl)ethenyl)-, trans-
CID 5375966
(1S)-1-phenyl-2-(pyridin-2-yl)ethan-1-ol
CID 11310145
N-Desmethyldoxylamine
CID 135338
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine?
The IUPAC name of 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine (CID 21279082) is 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine.
What is the SMILES notation for 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine?
The canonical SMILES for 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine is Cc1cc(C(C)OCC2CCCCC2)ccn1.
What is the InChIKey of 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine?
The InChIKey is HZIHUUFXRXGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-10-15(8-9-16-12)13(2)17-11-14-6-4-3-5-7-14/h8-10,13-14H,3-7,11H2,1-2H3.
What are the key properties of 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine?
4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine has a molecular weight of 233.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine is sourced from PubChem (CID 21279082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).