3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol

C15H25NO2 — CID 116752855

IUPAC3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
SMILESCCc1ccc(CC(O)C(CC)(CC)OC)nc1
InChIInChI=1S/C15H25NO2/c1-5-12-8-9-13(16-11-12)10-14(17)15(6-2,7-3)18-4/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyLGCLQWUSTMUUNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds7

About 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol

3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol (PubChem CID 116752855) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
PubChem CID116752855
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
SMILESCCc1ccc(CC(O)C(CC)(CC)OC)nc1
InChIInChI=1S/C15H25NO2/c1-5-12-8-9-13(16-11-12)10-14(17)15(6-2,7-3)18-4/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyLGCLQWUSTMUUNZ-UHFFFAOYSA-N
XLogP2.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxy-N-methylpentan-2-amine
CID 116760887
3-(dimethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79746221
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
CID 79739459
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
3-ethyl-3-methoxy-1-phenylpentan-2-ol
CID 116752734

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol?
The IUPAC name of 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol (CID 116752855) is 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol?
The canonical SMILES for 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol is CCc1ccc(CC(O)C(CC)(CC)OC)nc1.
What is the InChIKey of 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol?
The InChIKey is LGCLQWUSTMUUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12-8-9-13(16-11-12)10-14(17)15(6-2,7-3)18-4/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol?
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol is sourced from PubChem (CID 116752855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).