2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol

C10H16N2O — CID 115133332

IUPAC2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
SMILESCN(c1cccnc1)C(C)(C)CO
InChIInChI=1S/C10H16N2O/c1-10(2,8-13)12(3)9-5-4-6-11-7-9/h4-7,13H,8H2,1-3H3
InChIKeyJHIJXBRPBPPGNZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol

2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol (PubChem CID 115133332) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
PubChem CID115133332
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
SMILESCN(c1cccnc1)C(C)(C)CO
InChIInChI=1S/C10H16N2O/c1-10(2,8-13)12(3)9-5-4-6-11-7-9/h4-7,13H,8H2,1-3H3
InChIKeyJHIJXBRPBPPGNZ-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol (CID 115133332) is 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol is CN(c1cccnc1)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol?
The InChIKey is JHIJXBRPBPPGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,8-13)12(3)9-5-4-6-11-7-9/h4-7,13H,8H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol?
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 115133332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).