3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol

C11H17NO — CID 105076232

IUPAC3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
SMILESCc1ncccc1C(O)CC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)7-11(13)10-5-4-6-12-9(10)3/h4-6,8,11,13H,7H2,1-3H3
InChIKeyHETOZHUVQOTZGG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol

3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol (PubChem CID 105076232) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
PubChem CID105076232
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
SMILESCc1ncccc1C(O)CC(C)C
InChIInChI=1S/C11H17NO/c1-8(2)7-11(13)10-5-4-6-12-9(10)3/h4-6,8,11,13H,7H2,1-3H3
InChIKeyHETOZHUVQOTZGG-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
N,4-dimethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105126712
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol (CID 105076232) is 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol is Cc1ncccc1C(O)CC(C)C.
What is the InChIKey of 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is HETOZHUVQOTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)7-11(13)10-5-4-6-12-9(10)3/h4-6,8,11,13H,7H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol?
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 105076232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).