ethane;2-methoxy-3-propan-2-ylpyridine

C11H19NO — CID 155741549

IUPACethane;2-methoxy-3-propan-2-ylpyridine
SMILESCC.COc1ncccc1C(C)C
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)8-5-4-6-10-9(8)11-3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyVDZURCMCELRSOH-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.24
Rot. Bonds2

About ethane;2-methoxy-3-propan-2-ylpyridine

ethane;2-methoxy-3-propan-2-ylpyridine (PubChem CID 155741549) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;2-methoxy-3-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-methoxy-3-propan-2-ylpyridine
PubChem CID155741549
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;2-methoxy-3-propan-2-ylpyridine
SMILESCC.COc1ncccc1C(C)C
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)8-5-4-6-10-9(8)11-3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyVDZURCMCELRSOH-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
3-butan-2-yl-2-methoxypyridine
CID 130368185
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
1-(2-methoxy-3-pyridinyl)ethyl methanesulfonate
CID 131853710
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 131218927
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
(3,5-dimethylcyclohexyl)-(2-methoxy-3-pyridinyl)methanol
CID 105102871
2-cyclopentyloxy-3-propan-2-ylpyridine
CID 164786462
1-(2-methoxy-3-pyridinyl)-3-methylbut-2-en-1-ol
CID 105110251
2-(cyclopropylmethoxy)-3-propan-2-ylpyridine
CID 164786458

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-3-propan-2-ylpyridine?
The IUPAC name of ethane;2-methoxy-3-propan-2-ylpyridine (CID 155741549) is ethane;2-methoxy-3-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-methoxy-3-propan-2-ylpyridine?
The canonical SMILES for ethane;2-methoxy-3-propan-2-ylpyridine is CC.COc1ncccc1C(C)C.
What is the InChIKey of ethane;2-methoxy-3-propan-2-ylpyridine?
The InChIKey is VDZURCMCELRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-7(2)8-5-4-6-10-9(8)11-3;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;2-methoxy-3-propan-2-ylpyridine?
ethane;2-methoxy-3-propan-2-ylpyridine has a molecular weight of 181.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-3-propan-2-ylpyridine is sourced from PubChem (CID 155741549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).