2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol

C13H21NO2 — CID 116713058

IUPAC2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
SMILESCOC(C(O)c1cncc(C)c1)C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-9-6-10(8-14-7-9)11(15)12(16-5)13(2,3)4/h6-8,11-12,15H,1-5H3
InChIKeyDAENQSWULQWBGT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.48
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol

2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol (PubChem CID 116713058) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
PubChem CID116713058
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
SMILESCOC(C(O)c1cncc(C)c1)C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-9-6-10(8-14-7-9)11(15)12(16-5)13(2,3)4/h6-8,11-12,15H,1-5H3
InChIKeyDAENQSWULQWBGT-UHFFFAOYSA-N
XLogP2.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374188
2-(dimethylamino)-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374166
2-methyl-1-(5-methyl-3-pyridinyl)-2-pyrrolidin-1-ylpropan-1-ol
CID 115374168
ethyl 3,4-dihydroxy-4-(5-methyl-3-pyridinyl)butanoate
CID 171896867
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
2-methyl-1-(5-methyl-3-pyridinyl)prop-2-en-1-ol
CID 105110452
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
2-methoxy-N-methyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 115374857
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
hydroxy-(5-methyl-3-pyridinyl)methanesulfonic acid
CID 119081791
2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol (CID 116713058) is 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol is COC(C(O)c1cncc(C)c1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is DAENQSWULQWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-10(8-14-7-9)11(15)12(16-5)13(2,3)4/h6-8,11-12,15H,1-5H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 116713058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).