4-(1,1-dimethoxy-2-methylpropyl)pyridine

C11H17NO2 — CID 10888830

IUPAC4-(1,1-dimethoxy-2-methylpropyl)pyridine
SMILESCOC(OC)(c1ccncc1)C(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)11(13-3,14-4)10-5-7-12-8-6-10/h5-9H,1-4H3
InChIKeyLGOXJQOWRBSYKW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.18
Rot. Bonds4

About 4-(1,1-dimethoxy-2-methylpropyl)pyridine

4-(1,1-dimethoxy-2-methylpropyl)pyridine (PubChem CID 10888830) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(1,1-dimethoxy-2-methylpropyl)pyridine.

Molecular Properties

Compound Name4-(1,1-dimethoxy-2-methylpropyl)pyridine
PubChem CID10888830
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(1,1-dimethoxy-2-methylpropyl)pyridine
SMILESCOC(OC)(c1ccncc1)C(C)C
InChIInChI=1S/C11H17NO2/c1-9(2)11(13-3,14-4)10-5-7-12-8-6-10/h5-9H,1-4H3
InChIKeyLGOXJQOWRBSYKW-UHFFFAOYSA-N
XLogP2.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-(4-Pyridyl)-2-propanol
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1,3,4-Oxathiazol-2-one, 5-(4-pyridinyl)-
CID 454106
4-(1,3-Dioxolan-2-yl)pyridine
CID 283331
Pyridine, 4-(4,5-dihydro-2-oxazolyl)-
CID 576251
3-(Oxiran-2-yl)pyridine
CID 13319561
Methyl 3-(pyridin-3-yl)but-2-enoate
CID 58408485
1-(Pyridin-4-yl)propan-1-ol
CID 14684536
methyl (NE,4Z)-N-benzylidenepyridine-4-carbohydrazonate
CID 9555918
methyl (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonate
CID 9555919
methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate
CID 9555923
methyl (NE,4Z)-N-[(3-fluorophenyl)methylene]pyridine-4-carbohydrazonate
CID 9574532

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dimethoxy-2-methylpropyl)pyridine?
The IUPAC name of 4-(1,1-dimethoxy-2-methylpropyl)pyridine (CID 10888830) is 4-(1,1-dimethoxy-2-methylpropyl)pyridine.
What is the SMILES notation for 4-(1,1-dimethoxy-2-methylpropyl)pyridine?
The canonical SMILES for 4-(1,1-dimethoxy-2-methylpropyl)pyridine is COC(OC)(c1ccncc1)C(C)C.
What is the InChIKey of 4-(1,1-dimethoxy-2-methylpropyl)pyridine?
The InChIKey is LGOXJQOWRBSYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)11(13-3,14-4)10-5-7-12-8-6-10/h5-9H,1-4H3.
What are the key properties of 4-(1,1-dimethoxy-2-methylpropyl)pyridine?
4-(1,1-dimethoxy-2-methylpropyl)pyridine has a molecular weight of 195.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dimethoxy-2-methylpropyl)pyridine is sourced from PubChem (CID 10888830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).