2-methoxy-4-pentan-2-ylpyridine

C11H17NO — CID 155069578

IUPAC2-methoxy-4-pentan-2-ylpyridine
SMILESCCCC(C)c1ccnc(OC)c1
InChIInChI=1S/C11H17NO/c1-4-5-9(2)10-6-7-12-11(8-10)13-3/h6-9H,4-5H2,1-3H3
InChIKeyDUIACPGNDLOWQK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.99
Rot. Bonds4

About 2-methoxy-4-pentan-2-ylpyridine

2-methoxy-4-pentan-2-ylpyridine (PubChem CID 155069578) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-methoxy-4-pentan-2-ylpyridine.

Molecular Properties

Compound Name2-methoxy-4-pentan-2-ylpyridine
PubChem CID155069578
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-methoxy-4-pentan-2-ylpyridine
SMILESCCCC(C)c1ccnc(OC)c1
InChIInChI=1S/C11H17NO/c1-4-5-9(2)10-6-7-12-11(8-10)13-3/h6-9H,4-5H2,1-3H3
InChIKeyDUIACPGNDLOWQK-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
(1R)-1-(2-methoxy-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130901703
3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
CID 170827843
2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
CID 135215939
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
2,6-difluoro-3-(4-pentan-2-yl-2-pyridinyl)pyridine
CID 163423475
3,4-dihydroxy-4-(2-methoxy-4-pyridinyl)butanenitrile
CID 171900762
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
CID 62992019
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pentan-2-ylpyridine?
The IUPAC name of 2-methoxy-4-pentan-2-ylpyridine (CID 155069578) is 2-methoxy-4-pentan-2-ylpyridine.
What is the SMILES notation for 2-methoxy-4-pentan-2-ylpyridine?
The canonical SMILES for 2-methoxy-4-pentan-2-ylpyridine is CCCC(C)c1ccnc(OC)c1.
What is the InChIKey of 2-methoxy-4-pentan-2-ylpyridine?
The InChIKey is DUIACPGNDLOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-9(2)10-6-7-12-11(8-10)13-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-4-pentan-2-ylpyridine?
2-methoxy-4-pentan-2-ylpyridine has a molecular weight of 179.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pentan-2-ylpyridine is sourced from PubChem (CID 155069578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).