ethane;2-propan-2-yloxy-1,2-dihydropyridine

C10H19NO — CID 142154994

IUPACethane;2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC.CC(C)OC1C=CC=CN1
InChIInChI=1S/C8H13NO.C2H6/c1-7(2)10-8-5-3-4-6-9-8;1-2/h3-9H,1-2H3;1-2H3
InChIKeyINMDANNZCNNJGZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.44
Rot. Bonds2

About ethane;2-propan-2-yloxy-1,2-dihydropyridine

ethane;2-propan-2-yloxy-1,2-dihydropyridine (PubChem CID 142154994) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;2-propan-2-yloxy-1,2-dihydropyridine.

Molecular Properties

Compound Nameethane;2-propan-2-yloxy-1,2-dihydropyridine
PubChem CID142154994
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;2-propan-2-yloxy-1,2-dihydropyridine
SMILESCC.CC(C)OC1C=CC=CN1
InChIInChI=1S/C8H13NO.C2H6/c1-7(2)10-8-5-3-4-6-9-8;1-2/h3-9H,1-2H3;1-2H3
InChIKeyINMDANNZCNNJGZ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1-Trifluoropropan-2-yloxy)-1,2-dihydropyridine
CID 173469546
2-Ethanoxypicoline
CID 129693052
2-(1-Iodoethoxy)-1,2-dihydropyridine
CID 17777448
2-Methoxy-1,2-dihydropyridine
CID 17887843
2,4-Dimethoxy-1,2-dihydropyridine
CID 18619805
2,5-Dimethoxy-1,2-dihydropyridine
CID 18619813
5-Ethoxy-1,2-dihydropyridine
CID 22318760
(2S)-2-(2-methoxyethoxy)-1,2-dihydropyridine
CID 68320761
2-(2-Iodoethoxy)-1,2-dihydropyridine
CID 70143122
2-(2-Methoxyethoxy)-1,2-dihydropyridine
CID 77478651
4-Bromo-2-butoxy-1,2-dihydropyridine
CID 89961321
2-Ethoxy-6-methyl-1,2-dihydropyridine
CID 117755360

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yloxy-1,2-dihydropyridine?
The IUPAC name of ethane;2-propan-2-yloxy-1,2-dihydropyridine (CID 142154994) is ethane;2-propan-2-yloxy-1,2-dihydropyridine.
What is the SMILES notation for ethane;2-propan-2-yloxy-1,2-dihydropyridine?
The canonical SMILES for ethane;2-propan-2-yloxy-1,2-dihydropyridine is CC.CC(C)OC1C=CC=CN1.
What is the InChIKey of ethane;2-propan-2-yloxy-1,2-dihydropyridine?
The InChIKey is INMDANNZCNNJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-7(2)10-8-5-3-4-6-9-8;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yloxy-1,2-dihydropyridine?
ethane;2-propan-2-yloxy-1,2-dihydropyridine has a molecular weight of 169.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yloxy-1,2-dihydropyridine is sourced from PubChem (CID 142154994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).