3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine

C10H17N3O2 — CID 104540211

IUPAC3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
SMILESCOCCOCCNc1cccnc1N
InChIInChI=1S/C10H17N3O2/c1-14-7-8-15-6-5-12-9-3-2-4-13-10(9)11/h2-4,12H,5-8H2,1H3,(H2,11,13)
InChIKeyXEOBLRPPXGMCOQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds7

About 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine

3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine (PubChem CID 104540211) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
PubChem CID104540211
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
SMILESCOCCOCCNc1cccnc1N
InChIInChI=1S/C10H17N3O2/c1-14-7-8-15-6-5-12-9-3-2-4-13-10(9)11/h2-4,12H,5-8H2,1H3,(H2,11,13)
InChIKeyXEOBLRPPXGMCOQ-UHFFFAOYSA-N
XLogP0.74
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine (CID 104540211) is 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine is COCCOCCNc1cccnc1N.
What is the InChIKey of 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine?
The InChIKey is XEOBLRPPXGMCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-14-7-8-15-6-5-12-9-3-2-4-13-10(9)11/h2-4,12H,5-8H2,1H3,(H2,11,13).
What are the key properties of 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine?
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine has a molecular weight of 211.26 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).