4-(2,2-dimethylpropyl)-3-methoxypyridine

C11H17NO — CID 59574628

IUPAC4-(2,2-dimethylpropyl)-3-methoxypyridine
SMILESCOc1cnccc1CC(C)(C)C
InChIInChI=1S/C11H17NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h5-6,8H,7H2,1-4H3
InChIKeyFKNVQJKRMYHFRS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.68
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-3-methoxypyridine

4-(2,2-dimethylpropyl)-3-methoxypyridine (PubChem CID 59574628) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methoxypyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methoxypyridine
PubChem CID59574628
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2,2-dimethylpropyl)-3-methoxypyridine
SMILESCOc1cnccc1CC(C)(C)C
InChIInChI=1S/C11H17NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h5-6,8H,7H2,1-4H3
InChIKeyFKNVQJKRMYHFRS-UHFFFAOYSA-N
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-pentylpyridine
CID 170214218
1-(3-methoxy-4-pyridinyl)propan-2-amine
CID 112712024
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine
CID 59574840
3-methoxy-4-(3-methylhexan-3-yl)pyridine
CID 154951744
ethane;4-methoxy-3-propylpyridine
CID 176962232
3-(iodomethyl)-4-methoxypyridine
CID 130559780
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methoxypyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methoxypyridine (CID 59574628) is 4-(2,2-dimethylpropyl)-3-methoxypyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methoxypyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methoxypyridine is COc1cnccc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methoxypyridine?
The InChIKey is FKNVQJKRMYHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methoxypyridine?
4-(2,2-dimethylpropyl)-3-methoxypyridine has a molecular weight of 179.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methoxypyridine is sourced from PubChem (CID 59574628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).