2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol

C15H27N3O — CID 738900

IUPAC2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-13(19)11(9-17(4)5)8-12(16-14)10-18(6)7/h8,19H,9-10H2,1-7H3
InChIKeyONFURUQPVGJNKB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.21
Rot. Bonds4

About 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol

2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol (PubChem CID 738900) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol
PubChem CID738900
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3O/c1-15(2,3)14-13(19)11(9-17(4)5)8-12(16-14)10-18(6)7/h8,19H,9-10H2,1-7H3
InChIKeyONFURUQPVGJNKB-UHFFFAOYSA-N
XLogP2.21
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol?
The IUPAC name of 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol (CID 738900) is 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol?
The canonical SMILES for 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol is CN(C)Cc1cc(CN(C)C)c(O)c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol?
The InChIKey is ONFURUQPVGJNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)14-13(19)11(9-17(4)5)8-12(16-14)10-18(6)7/h8,19H,9-10H2,1-7H3.
What are the key properties of 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol?
2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol has a molecular weight of 265.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,6-bis[(dimethylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 738900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).