3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol

C13H21NO — CID 104823060

IUPAC3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO/c1-4-11(5-2)8-13(15)12-7-6-10(3)14-9-12/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyODAAYPGMMAUZCW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.25
Rot. Bonds5

About 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol

3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol (PubChem CID 104823060) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
PubChem CID104823060
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccc(C)nc1
InChIInChI=1S/C13H21NO/c1-4-11(5-2)8-13(15)12-7-6-10(3)14-9-12/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyODAAYPGMMAUZCW-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63156001
2-ethyl-2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752751
2-methoxy-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116710731
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
3-ethyl-1-(4-methoxyphenyl)pentan-1-ol
CID 82920608
N-(2-ethylbutyl)-6-methylpyridin-3-amine
CID 75355434
1-[4-(dimethylamino)phenyl]-3-ethylpentan-1-ol
CID 82927874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol (CID 104823060) is 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol is CCC(CC)CC(O)c1ccc(C)nc1.
What is the InChIKey of 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol?
The InChIKey is ODAAYPGMMAUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(5-2)8-13(15)12-7-6-10(3)14-9-12/h6-7,9,11,13,15H,4-5,8H2,1-3H3.
What are the key properties of 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol?
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol is sourced from PubChem (CID 104823060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).