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

C7H15N3O3 — CID 18681322

IUPAC2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCN=C(N)N
InChIInChI=1S/C7H15N3O3/c1-6(11)13-5-4-12-3-2-10-7(8)9/h2-5H2,1H3,(H4,8,9,10)
InChIKeyDOTYRRUIKKVZMR-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.16
Rot. Bonds6

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

2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate (PubChem CID 18681322) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
PubChem CID18681322
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCN=C(N)N
InChIInChI=1S/C7H15N3O3/c1-6(11)13-5-4-12-3-2-10-7(8)9/h2-5H2,1H3,(H4,8,9,10)
InChIKeyDOTYRRUIKKVZMR-UHFFFAOYSA-N
XLogP-1.16
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
2-[2-(diaminomethylideneamino)ethoxy]acetamide
CID 106238016
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
2-(3-sulfanylpropoxy)ethyl acetate
CID 171581130
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate (CID 18681322) is 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate is CC(=O)OCCOCCN=C(N)N.
What is the InChIKey of 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate?
The InChIKey is DOTYRRUIKKVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-6(11)13-5-4-12-3-2-10-7(8)9/h2-5H2,1H3,(H4,8,9,10).
What are the key properties of 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate?
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate has a molecular weight of 189.21 g/mol, XLogP of -1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate is sourced from PubChem (CID 18681322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).