1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine

C17H36N10 — CID 176524346

IUPAC1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
SMILESN#CN/C(N)=N/CCCCCCNC(N)=N/C(N)=N/CCCCCCCN
InChIInChI=1S/C17H36N10/c18-10-6-2-1-3-7-12-24-16(21)27-17(22)25-13-9-5-4-8-11-23-15(20)26-14-19/h1-13,18H2,(H3,20,23,26)(H5,21,22,24,25,27)
InChIKeyNUDRSKFFOZBVHW-UHFFFAOYSA-N
MW380.55 g/mol
LogP0.06
Rot. Bonds14

About 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine

1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine (PubChem CID 176524346) has the molecular formula C17H36N10 and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine.

Molecular Properties

Compound Name1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
PubChem CID176524346
Molecular FormulaC17H36N10
Molecular Weight380.55 g/mol
Exact Mass380.31
IUPAC Name1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
SMILESN#CN/C(N)=N/CCCCCCNC(N)=N/C(N)=N/CCCCCCCN
InChIInChI=1S/C17H36N10/c18-10-6-2-1-3-7-12-24-16(21)27-17(22)25-13-9-5-4-8-11-23-15(20)26-14-19/h1-13,18H2,(H3,20,23,26)(H5,21,22,24,25,27)
InChIKeyNUDRSKFFOZBVHW-UHFFFAOYSA-N
XLogP0.06
TPSA189.01 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.55
LogP ≤ 50.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[amino-[6-[[amino-[(E)-[amino-(cyanoamino)methylidene]amino]methylidene]amino]hexylamino]methylidene]-2-isocyanoguanidine
CID 176525520
1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
CID 176517039
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176538744
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
CID 169436852
N'-[6-[[(E)-N'-[N'-[6-[(N'-methylcarbamimidoyl)amino]hexyl]carbamimidoyl]carbamimidoyl]amino]hexyl]ethanimidamide;hydrochloride
CID 176529888
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
CID 176680168
1-cyano-2-(4-sulfanylidenebutyl)guanidine
CID 22712754
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine?
The IUPAC name of 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine (CID 176524346) is 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine.
What is the SMILES notation for 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine?
The canonical SMILES for 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine is N#CN/C(N)=N/CCCCCCNC(N)=N/C(N)=N/CCCCCCCN.
What is the InChIKey of 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine?
The InChIKey is NUDRSKFFOZBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N10/c18-10-6-2-1-3-7-12-24-16(21)27-17(22)25-13-9-5-4-8-11-23-15(20)26-14-19/h1-13,18H2,(H3,20,23,26)(H5,21,22,24,25,27).
What are the key properties of 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine?
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine has a molecular weight of 380.55 g/mol, XLogP of 0.06, 14 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine is sourced from PubChem (CID 176524346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).