1-[methyl(pyridin-4-yl)amino]propan-1-ol

C9H14N2O — CID 70056713

IUPAC1-[methyl(pyridin-4-yl)amino]propan-1-ol
SMILESCCC(O)N(C)c1ccncc1
InChIInChI=1S/C9H14N2O/c1-3-9(12)11(2)8-4-6-10-7-5-8/h4-7,9,12H,3H2,1-2H3
InChIKeyAJXNCZAKPPWHPS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.25
Rot. Bonds3

About 1-[methyl(pyridin-4-yl)amino]propan-1-ol

1-[methyl(pyridin-4-yl)amino]propan-1-ol (PubChem CID 70056713) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[methyl(pyridin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[methyl(pyridin-4-yl)amino]propan-1-ol
PubChem CID70056713
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[methyl(pyridin-4-yl)amino]propan-1-ol
SMILESCCC(O)N(C)c1ccncc1
InChIInChI=1S/C9H14N2O/c1-3-9(12)11(2)8-4-6-10-7-5-8/h4-7,9,12H,3H2,1-2H3
InChIKeyAJXNCZAKPPWHPS-UHFFFAOYSA-N
XLogP1.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1-phenylpropyl)pyridin-4-amine
CID 23457999
3-[methyl(pyridin-4-yl)amino]butanethioamide
CID 63223974
3-[methyl(pyridin-4-yl)amino]butanimidamide
CID 63224751
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235
N,N-dimethylpyridin-4-amine
CID 14284
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
N,N-dimethylpyridin-4-amine;triethylborane
CID 159448886
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
1-[methyl(pyridin-4-yl)amino]ethyl 2-methylprop-2-enoate
CID 175593716
(2S)-2-amino-N,3-dimethyl-N-pyridin-4-ylpentanamide
CID 106935125

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-4-yl)amino]propan-1-ol?
The IUPAC name of 1-[methyl(pyridin-4-yl)amino]propan-1-ol (CID 70056713) is 1-[methyl(pyridin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-[methyl(pyridin-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-[methyl(pyridin-4-yl)amino]propan-1-ol is CCC(O)N(C)c1ccncc1.
What is the InChIKey of 1-[methyl(pyridin-4-yl)amino]propan-1-ol?
The InChIKey is AJXNCZAKPPWHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-9(12)11(2)8-4-6-10-7-5-8/h4-7,9,12H,3H2,1-2H3.
What are the key properties of 1-[methyl(pyridin-4-yl)amino]propan-1-ol?
1-[methyl(pyridin-4-yl)amino]propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 70056713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).