2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol

C11H19N3O2 — CID 106311546

IUPAC2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
SMILESCNc1cncc(NCCCOCCO)c1
InChIInChI=1S/C11H19N3O2/c1-12-10-7-11(9-13-8-10)14-3-2-5-16-6-4-15/h7-9,12,14-15H,2-6H2,1H3
InChIKeyJYMZNGDJKKYTEA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds8

About 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol

2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol (PubChem CID 106311546) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
PubChem CID106311546
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
SMILESCNc1cncc(NCCCOCCO)c1
InChIInChI=1S/C11H19N3O2/c1-12-10-7-11(9-13-8-10)14-3-2-5-16-6-4-15/h7-9,12,14-15H,2-6H2,1H3
InChIKeyJYMZNGDJKKYTEA-UHFFFAOYSA-N
XLogP0.93
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
CID 100678145

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol (CID 106311546) is 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol is CNc1cncc(NCCCOCCO)c1.
What is the InChIKey of 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol?
The InChIKey is JYMZNGDJKKYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-10-7-11(9-13-8-10)14-3-2-5-16-6-4-15/h7-9,12,14-15H,2-6H2,1H3.
What are the key properties of 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol?
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol is sourced from PubChem (CID 106311546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).