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

C9H14N2O — CID 57466357

IUPAC3-[methyl(pyridin-2-yl)amino]propan-1-ol
SMILESCN(CCCO)c1ccccn1
InChIInChI=1S/C9H14N2O/c1-11(7-4-8-12)9-5-2-3-6-10-9/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyHHJHWPHYFIYBRU-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.90
Rot. Bonds4

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

3-[methyl(pyridin-2-yl)amino]propan-1-ol (PubChem CID 57466357) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-[methyl(pyridin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl(pyridin-2-yl)amino]propan-1-ol
PubChem CID57466357
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-[methyl(pyridin-2-yl)amino]propan-1-ol
SMILESCN(CCCO)c1ccccn1
InChIInChI=1S/C9H14N2O/c1-11(7-4-8-12)9-5-2-3-6-10-9/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyHHJHWPHYFIYBRU-UHFFFAOYSA-N
XLogP0.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 145104975
3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[methyl(pyridin-2-yl)amino]propan-1-ol (CID 57466357) is 3-[methyl(pyridin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[methyl(pyridin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[methyl(pyridin-2-yl)amino]propan-1-ol is CN(CCCO)c1ccccn1.
What is the InChIKey of 3-[methyl(pyridin-2-yl)amino]propan-1-ol?
The InChIKey is HHJHWPHYFIYBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(7-4-8-12)9-5-2-3-6-10-9/h2-3,5-6,12H,4,7-8H2,1H3.
What are the key properties of 3-[methyl(pyridin-2-yl)amino]propan-1-ol?
3-[methyl(pyridin-2-yl)amino]propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 57466357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).