1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol

C13H21NO — CID 105114692

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(C)nc1C
InChIInChI=1S/C13H21NO/c1-5-11(6-2)13(15)12-8-7-9(3)14-10(12)4/h7-8,11,13,15H,5-6H2,1-4H3
InChIKeySPTOACBFZXHGTC-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol

1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol (PubChem CID 105114692) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
PubChem CID105114692
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(C)nc1C
InChIInChI=1S/C13H21NO/c1-5-11(6-2)13(15)12-8-7-9(3)14-10(12)4/h7-8,11,13,15H,5-6H2,1-4H3
InChIKeySPTOACBFZXHGTC-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-ol
CID 105133610
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
1-(2,6-dimethyl-3-pyridinyl)hexan-1-ol
CID 105086146
1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
CID 105114625
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
3-azido-1-(2,6-dimethyl-3-pyridinyl)propane-1,2-diol
CID 170825757
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
CID 55292437
2-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)butan-1-ol
CID 105114654

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol (CID 105114692) is 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol?
The InChIKey is SPTOACBFZXHGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(6-2)13(15)12-8-7-9(3)14-10(12)4/h7-8,11,13,15H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol?
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 105114692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).