2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane

C15H26N2O2 — CID 156651780

IUPAC2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane
SMILESC1CCOC1.CC(C)c1ccc(O)c(CN(C)C)n1
InChIInChI=1S/C11H18N2O.C4H8O/c1-8(2)9-5-6-11(14)10(12-9)7-13(3)4;1-2-4-5-3-1/h5-6,8,14H,7H2,1-4H3;1-4H2
InChIKeyJXLWRVXBLNPWJI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.77
Rot. Bonds3

About 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane

2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane (PubChem CID 156651780) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane
PubChem CID156651780
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane
SMILESC1CCOC1.CC(C)c1ccc(O)c(CN(C)C)n1
InChIInChI=1S/C11H18N2O.C4H8O/c1-8(2)9-5-6-11(14)10(12-9)7-13(3)4;1-2-4-5-3-1/h5-6,8,14H,7H2,1-4H3;1-4H2
InChIKeyJXLWRVXBLNPWJI-UHFFFAOYSA-N
XLogP2.77
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane?
The IUPAC name of 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane (CID 156651780) is 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane is C1CCOC1.CC(C)c1ccc(O)c(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane?
The InChIKey is JXLWRVXBLNPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C4H8O/c1-8(2)9-5-6-11(14)10(12-9)7-13(3)4;1-2-4-5-3-1/h5-6,8,14H,7H2,1-4H3;1-4H2.
What are the key properties of 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane?
2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane has a molecular weight of 266.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-propan-2-ylpyridin-3-ol;oxolane is sourced from PubChem (CID 156651780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).