4-[methyl(pyridin-2-yl)amino]butan-1-ol

C10H16N2O — CID 115217548

IUPAC4-[methyl(pyridin-2-yl)amino]butan-1-ol
SMILESCN(CCCCO)c1ccccn1
InChIInChI=1S/C10H16N2O/c1-12(8-4-5-9-13)10-6-2-3-7-11-10/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyCLHPNAYKFISOGF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.29
Rot. Bonds5

About 4-[methyl(pyridin-2-yl)amino]butan-1-ol

4-[methyl(pyridin-2-yl)amino]butan-1-ol (PubChem CID 115217548) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl(pyridin-2-yl)amino]butan-1-ol
PubChem CID115217548
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[methyl(pyridin-2-yl)amino]butan-1-ol
SMILESCN(CCCCO)c1ccccn1
InChIInChI=1S/C10H16N2O/c1-12(8-4-5-9-13)10-6-2-3-7-11-10/h2-3,6-7,13H,4-5,8-9H2,1H3
InChIKeyCLHPNAYKFISOGF-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107201811
5-[(3-fluoro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203383
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[methyl(pyridin-2-yl)amino]butan-1-ol (CID 115217548) is 4-[methyl(pyridin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl(pyridin-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl(pyridin-2-yl)amino]butan-1-ol is CN(CCCCO)c1ccccn1.
What is the InChIKey of 4-[methyl(pyridin-2-yl)amino]butan-1-ol?
The InChIKey is CLHPNAYKFISOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(8-4-5-9-13)10-6-2-3-7-11-10/h2-3,6-7,13H,4-5,8-9H2,1H3.
What are the key properties of 4-[methyl(pyridin-2-yl)amino]butan-1-ol?
4-[methyl(pyridin-2-yl)amino]butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 115217548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).