2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine

C10H24N10O2 — CID 58517388

IUPAC2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCOCCOCC/N=C(\N)N=C(N)N
InChIInChI=1S/C10H24N10O2/c11-7(12)19-9(15)17-1-3-21-5-6-22-4-2-18-10(16)20-8(13)14/h1-6H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20)
InChIKeyBPPJMIABMQJBAW-UHFFFAOYSA-N
MW316.37 g/mol
LogP-3.80
Rot. Bonds9

About 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine

2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine (PubChem CID 58517388) has the molecular formula C10H24N10O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
PubChem CID58517388
Molecular FormulaC10H24N10O2
Molecular Weight316.37 g/mol
Exact Mass316.21
IUPAC Name2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCOCCOCC/N=C(\N)N=C(N)N
InChIInChI=1S/C10H24N10O2/c11-7(12)19-9(15)17-1-3-21-5-6-22-4-2-18-10(16)20-8(13)14/h1-6H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20)
InChIKeyBPPJMIABMQJBAW-UHFFFAOYSA-N
XLogP-3.80
TPSA224.02 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 5-3.80
H-Bond Donors ≤ 56
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-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
CID 175829054
2-[2-[[amino-(pentan-3-ylideneamino)methylidene]amino]ethoxy]ethyl N-phosphanylmethanimidate
CID 123829209
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
CID 18681322
2-(aminomethyl)-1-(diaminomethylidene)guanidine
CID 123981435
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
CID 87314580
ethyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]propanoate
CID 10778684
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
CID 174852963
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine (CID 58517388) is 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CCOCCOCC/N=C(\N)N=C(N)N.
What is the InChIKey of 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine?
The InChIKey is BPPJMIABMQJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N10O2/c11-7(12)19-9(15)17-1-3-21-5-6-22-4-2-18-10(16)20-8(13)14/h1-6H2,(H6,11,12,15,17,19)(H6,13,14,16,18,20).
What are the key properties of 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine?
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine has a molecular weight of 316.37 g/mol, XLogP of -3.80, 9 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 58517388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).