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

C10H17N3O2 — CID 106308989

IUPAC2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
SMILESNc1ncccc1NCCCOCCO
InChIInChI=1S/C10H17N3O2/c11-10-9(3-1-4-13-10)12-5-2-7-15-8-6-14/h1,3-4,12,14H,2,5-8H2,(H2,11,13)
InChIKeyKSSYQIUPRHDWGR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.47
Rot. Bonds7

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

2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol (PubChem CID 106308989) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
PubChem CID106308989
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
SMILESNc1ncccc1NCCCOCCO
InChIInChI=1S/C10H17N3O2/c11-10-9(3-1-4-13-10)12-5-2-7-15-8-6-14/h1,3-4,12,14H,2,5-8H2,(H2,11,13)
InChIKeyKSSYQIUPRHDWGR-UHFFFAOYSA-N
XLogP0.47
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
3-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394504
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
2-amino-3-[3-(2-hydroxyethoxy)propylamino]benzonitrile
CID 106308832
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
CID 106308969
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol (CID 106308989) is 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol is Nc1ncccc1NCCCOCCO.
What is the InChIKey of 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol?
The InChIKey is KSSYQIUPRHDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-10-9(3-1-4-13-10)12-5-2-7-15-8-6-14/h1,3-4,12,14H,2,5-8H2,(H2,11,13).
What are the key properties of 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol?
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol is sourced from PubChem (CID 106308989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).