2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine

C10H20N6O2 — CID 90967622

IUPAC2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine
SMILESC=C(OCCN=C(N)N)C(=C)OCCN=C(N)N
InChIInChI=1S/C10H20N6O2/c1-7(17-5-3-15-9(11)12)8(2)18-6-4-16-10(13)14/h1-6H2,(H4,11,12,15)(H4,13,14,16)
InChIKeyXSNOCHQNLXWNIS-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.41
Rot. Bonds9

About 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine

2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine (PubChem CID 90967622) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine
PubChem CID90967622
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine
SMILESC=C(OCCN=C(N)N)C(=C)OCCN=C(N)N
InChIInChI=1S/C10H20N6O2/c1-7(17-5-3-15-9(11)12)8(2)18-6-4-16-10(13)14/h1-6H2,(H4,11,12,15)(H4,13,14,16)
InChIKeyXSNOCHQNLXWNIS-UHFFFAOYSA-N
XLogP-1.41
TPSA147.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794
2-(diaminomethylideneamino)ethyl butanoate
CID 121338595
(2E,4E)-2-[1-[2-(diaminomethylideneamino)ethoxy]ethenyl]-4-[5-(diaminomethylideneamino)pentanoylamino]hexa-2,4-dienamide
CID 131994626
2-[2-(diaminomethylideneamino)ethoxy]acetamide
CID 106238016
2-(2-prop-2-ynoxyethyl)guanidine
CID 130976126
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
CID 18681322
3-(diaminomethylideneamino)propanoate
CID 19020673
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
1-amino-2-[2-(2-methylprop-2-enoxy)ethyl]guanidine
CID 104929458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine?
The IUPAC name of 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine (CID 90967622) is 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine.
What is the SMILES notation for 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine?
The canonical SMILES for 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine is C=C(OCCN=C(N)N)C(=C)OCCN=C(N)N.
What is the InChIKey of 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine?
The InChIKey is XSNOCHQNLXWNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-7(17-5-3-15-9(11)12)8(2)18-6-4-16-10(13)14/h1-6H2,(H4,11,12,15)(H4,13,14,16).
What are the key properties of 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine?
2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine has a molecular weight of 256.31 g/mol, XLogP of -1.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(diaminomethylideneamino)ethoxy]buta-1,3-dien-2-yloxy]ethyl]guanidine is sourced from PubChem (CID 90967622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).