2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine

C9H22N10 — CID 22639468

IUPAC2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H22N10/c10-6(11)18-8(14)16-4-2-1-3-5-17-9(15)19-7(12)13/h1-5H2,(H6,10,11,14,16,18)(H6,12,13,15,17,19)
InChIKeyGEPXLDLVTRMBJJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP-2.67
Rot. Bonds6

About 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine

2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine (PubChem CID 22639468) has the molecular formula C9H22N10 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
PubChem CID22639468
Molecular FormulaC9H22N10
Molecular Weight270.34 g/mol
Exact Mass270.20
IUPAC Name2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H22N10/c10-6(11)18-8(14)16-4-2-1-3-5-17-9(15)19-7(12)13/h1-5H2,(H6,10,11,14,16,18)(H6,12,13,15,17,19)
InChIKeyGEPXLDLVTRMBJJ-UHFFFAOYSA-N
XLogP-2.67
TPSA205.56 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.34
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
CID 87314580
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
CID 174852963
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176538744
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
CID 58517388
2-[10-[bromo(triphenyl)-λ5-phosphanyl]decyl]-1-(diaminomethylidene)guanidine
CID 138567266
2-[N'-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]carbamimidoyl]-1,3-bis(4-chlorophenyl)guanidine;dihydrochloride
CID 20843964
2-(aminomethyl)-1-(diaminomethylidene)guanidine
CID 123981435
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine (CID 22639468) is 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CCCCC/N=C(\N)N=C(N)N.
What is the InChIKey of 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine?
The InChIKey is GEPXLDLVTRMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N10/c10-6(11)18-8(14)16-4-2-1-3-5-17-9(15)19-7(12)13/h1-5H2,(H6,10,11,14,16,18)(H6,12,13,15,17,19).
What are the key properties of 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine?
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine has a molecular weight of 270.34 g/mol, XLogP of -2.67, 6 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 22639468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).