2-ethoxy-3-hexan-3-ylpyridine

C13H21NO — CID 130368203

IUPAC2-ethoxy-3-hexan-3-ylpyridine
SMILESCCCC(CC)c1cccnc1OCC
InChIInChI=1S/C13H21NO/c1-4-8-11(5-2)12-9-7-10-14-13(12)15-6-3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyNNIOAZUBTPGCEN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.77
Rot. Bonds6

About 2-ethoxy-3-hexan-3-ylpyridine

2-ethoxy-3-hexan-3-ylpyridine (PubChem CID 130368203) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-ethoxy-3-hexan-3-ylpyridine.

Molecular Properties

Compound Name2-ethoxy-3-hexan-3-ylpyridine
PubChem CID130368203
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-ethoxy-3-hexan-3-ylpyridine
SMILESCCCC(CC)c1cccnc1OCC
InChIInChI=1S/C13H21NO/c1-4-8-11(5-2)12-9-7-10-14-13(12)15-6-3/h7,9-11H,4-6,8H2,1-3H3
InChIKeyNNIOAZUBTPGCEN-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
3-hexan-3-yl-2-methylpyridine
CID 143825062
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55291895
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
2-amino-2-(2-ethoxy-3-pyridinyl)ethanol
CID 55294211
2-(2-ethoxy-3-pyridinyl)propanenitrile
CID 175668388
cyclopropyl-(2-ethoxy-3-pyridinyl)methanamine
CID 55296468
3-heptan-3-yl-2-pyridin-2-ylpyridine
CID 154256710
3-butan-2-yl-2-methoxypyridine
CID 130368185
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
CID 133057907

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-hexan-3-ylpyridine?
The IUPAC name of 2-ethoxy-3-hexan-3-ylpyridine (CID 130368203) is 2-ethoxy-3-hexan-3-ylpyridine.
What is the SMILES notation for 2-ethoxy-3-hexan-3-ylpyridine?
The canonical SMILES for 2-ethoxy-3-hexan-3-ylpyridine is CCCC(CC)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-3-hexan-3-ylpyridine?
The InChIKey is NNIOAZUBTPGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-8-11(5-2)12-9-7-10-14-13(12)15-6-3/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 2-ethoxy-3-hexan-3-ylpyridine?
2-ethoxy-3-hexan-3-ylpyridine has a molecular weight of 207.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-hexan-3-ylpyridine is sourced from PubChem (CID 130368203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).