ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol

C16H22N2O — CID 142343342

IUPACethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
SMILESCC.CC(C)C(O)(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H16N2O.C2H6/c1-11(2)14(17,12-7-3-5-9-15-12)13-8-4-6-10-16-13;1-2/h3-11,17H,1-2H3;1-2H3
InChIKeyWMPRHUJYTBAEAQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.39
Rot. Bonds3

About ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol

ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol (PubChem CID 142343342) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Nameethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
PubChem CID142343342
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Nameethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
SMILESCC.CC(C)C(O)(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H16N2O.C2H6/c1-11(2)14(17,12-7-3-5-9-15-12)13-8-4-6-10-16-13;1-2/h3-11,17H,1-2H3;1-2H3
InChIKeyWMPRHUJYTBAEAQ-UHFFFAOYSA-N
XLogP3.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol?
The IUPAC name of ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol (CID 142343342) is ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol.
What is the SMILES notation for ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol?
The canonical SMILES for ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol is CC.CC(C)C(O)(c1ccccn1)c1ccccn1.
What is the InChIKey of ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol?
The InChIKey is WMPRHUJYTBAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2H6/c1-11(2)14(17,12-7-3-5-9-15-12)13-8-4-6-10-16-13;1-2/h3-11,17H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol?
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol is sourced from PubChem (CID 142343342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).