3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine

C13H30N2O3 — CID 155140962

IUPAC3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine
SMILESCC(C)CCCOCCOCCOCCCNN
InChIInChI=1S/C13H30N2O3/c1-13(2)5-3-7-16-9-11-18-12-10-17-8-4-6-15-14/h13,15H,3-12,14H2,1-2H3
InChIKeyDMERFRHULURZQA-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.33
Rot. Bonds14

About 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine

3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine (PubChem CID 155140962) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine.

Molecular Properties

Compound Name3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine
PubChem CID155140962
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine
SMILESCC(C)CCCOCCOCCOCCCNN
InChIInChI=1S/C13H30N2O3/c1-13(2)5-3-7-16-9-11-18-12-10-17-8-4-6-15-14/h13,15H,3-12,14H2,1-2H3
InChIKeyDMERFRHULURZQA-UHFFFAOYSA-N
XLogP1.33
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine?
The IUPAC name of 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine (CID 155140962) is 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine.
What is the SMILES notation for 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine?
The canonical SMILES for 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine is CC(C)CCCOCCOCCOCCCNN.
What is the InChIKey of 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine?
The InChIKey is DMERFRHULURZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-13(2)5-3-7-16-9-11-18-12-10-17-8-4-6-15-14/h13,15H,3-12,14H2,1-2H3.
What are the key properties of 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine?
3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine has a molecular weight of 262.39 g/mol, XLogP of 1.33, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propylhydrazine is sourced from PubChem (CID 155140962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).