2-[2-(diaminomethylideneamino)ethoxy]acetamide

C5H12N4O2 — CID 106238016

IUPAC2-[2-(diaminomethylideneamino)ethoxy]acetamide
SMILESNC(=O)COCCN=C(N)N
InChIInChI=1S/C5H12N4O2/c6-4(10)3-11-2-1-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)
InChIKeyAPWRSURAZCHLLC-UHFFFAOYSA-N
MW160.18 g/mol
LogP-2.24
Rot. Bonds5

About 2-[2-(diaminomethylideneamino)ethoxy]acetamide

2-[2-(diaminomethylideneamino)ethoxy]acetamide (PubChem CID 106238016) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[2-(diaminomethylideneamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(diaminomethylideneamino)ethoxy]acetamide
PubChem CID106238016
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-[2-(diaminomethylideneamino)ethoxy]acetamide
SMILESNC(=O)COCCN=C(N)N
InChIInChI=1S/C5H12N4O2/c6-4(10)3-11-2-1-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)
InChIKeyAPWRSURAZCHLLC-UHFFFAOYSA-N
XLogP-2.24
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
CID 106241335
2-[2-(1-aminopropylideneamino)ethoxy]acetamide
CID 106241380
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
CID 18681322
2-(diaminomethylideneamino)ethyl butanoate
CID 121338595
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
2-(3-aminopropoxy)acetamide
CID 62344224
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 87940620
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
2-(2-prop-2-ynoxyethyl)guanidine
CID 130976126
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
3-(diaminomethylideneamino)propyl methyl carbonate
CID 121342471

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diaminomethylideneamino)ethoxy]acetamide?
The IUPAC name of 2-[2-(diaminomethylideneamino)ethoxy]acetamide (CID 106238016) is 2-[2-(diaminomethylideneamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(diaminomethylideneamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(diaminomethylideneamino)ethoxy]acetamide is NC(=O)COCCN=C(N)N.
What is the InChIKey of 2-[2-(diaminomethylideneamino)ethoxy]acetamide?
The InChIKey is APWRSURAZCHLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c6-4(10)3-11-2-1-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9).
What are the key properties of 2-[2-(diaminomethylideneamino)ethoxy]acetamide?
2-[2-(diaminomethylideneamino)ethoxy]acetamide has a molecular weight of 160.18 g/mol, XLogP of -2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diaminomethylideneamino)ethoxy]acetamide is sourced from PubChem (CID 106238016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).