3-(3,3-dimethylbutoxymethyl)pyridine

C12H19NO — CID 154991745

IUPAC3-(3,3-dimethylbutoxymethyl)pyridine
SMILESCC(C)(C)CCOCc1cccnc1
InChIInChI=1S/C12H19NO/c1-12(2,3)6-8-14-10-11-5-4-7-13-9-11/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyIWAMWZVWMUQUTK-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.03
Rot. Bonds4

About 3-(3,3-dimethylbutoxymethyl)pyridine

3-(3,3-dimethylbutoxymethyl)pyridine (PubChem CID 154991745) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxymethyl)pyridine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxymethyl)pyridine
PubChem CID154991745
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(3,3-dimethylbutoxymethyl)pyridine
SMILESCC(C)(C)CCOCc1cccnc1
InChIInChI=1S/C12H19NO/c1-12(2,3)6-8-14-10-11-5-4-7-13-9-11/h4-5,7,9H,6,8,10H2,1-3H3
InChIKeyIWAMWZVWMUQUTK-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
2-methyl-1-(pyridin-3-ylmethoxy)butan-2-amine
CID 64572514
3-(1,1-difluoroethoxymethyl)pyridine
CID 90124962
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
N-methyl-N-[2-(pyridin-3-ylmethoxy)ethyl]but-3-yn-2-amine
CID 175219429
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-(2-methoxyethoxy)-dimethylsilane
CID 91700183
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxymethyl)pyridine?
The IUPAC name of 3-(3,3-dimethylbutoxymethyl)pyridine (CID 154991745) is 3-(3,3-dimethylbutoxymethyl)pyridine.
What is the SMILES notation for 3-(3,3-dimethylbutoxymethyl)pyridine?
The canonical SMILES for 3-(3,3-dimethylbutoxymethyl)pyridine is CC(C)(C)CCOCc1cccnc1.
What is the InChIKey of 3-(3,3-dimethylbutoxymethyl)pyridine?
The InChIKey is IWAMWZVWMUQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)6-8-14-10-11-5-4-7-13-9-11/h4-5,7,9H,6,8,10H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutoxymethyl)pyridine?
3-(3,3-dimethylbutoxymethyl)pyridine has a molecular weight of 193.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxymethyl)pyridine is sourced from PubChem (CID 154991745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).