2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate

C9H19N3O4 — CID 18681295

IUPAC2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCN=C(N)N
InChIInChI=1S/C9H19N3O4/c1-8(13)16-7-6-15-5-4-14-3-2-12-9(10)11/h2-7H2,1H3,(H4,10,11,12)
InChIKeyWLDSXMVHEFQERN-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.14
Rot. Bonds9

About 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate

2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate (PubChem CID 18681295) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate
PubChem CID18681295
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOCCN=C(N)N
InChIInChI=1S/C9H19N3O4/c1-8(13)16-7-6-15-5-4-14-3-2-12-9(10)11/h2-7H2,1H3,(H4,10,11,12)
InChIKeyWLDSXMVHEFQERN-UHFFFAOYSA-N
XLogP-1.14
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate (CID 18681295) is 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate is CC(=O)OCCOCCOCCN=C(N)N.
What is the InChIKey of 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate?
The InChIKey is WLDSXMVHEFQERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-8(13)16-7-6-15-5-4-14-3-2-12-9(10)11/h2-7H2,1H3,(H4,10,11,12).
What are the key properties of 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate?
2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate has a molecular weight of 233.27 g/mol, XLogP of -1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 18681295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).