1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine

C10H18N8 — CID 176517039

IUPAC1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
SMILESN#C/N=C(\N)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)
InChIKeyYXZZOMVBHPCKMM-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.68
Rot. Bonds7

About 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine

1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine (PubChem CID 176517039) has the molecular formula C10H18N8 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine.

Molecular Properties

Compound Name1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
PubChem CID176517039
Molecular FormulaC10H18N8
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
SMILESN#C/N=C(\N)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)
InChIKeyYXZZOMVBHPCKMM-UHFFFAOYSA-N
XLogP-0.68
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
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'}

Analyze 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine with MolForge

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Related Compounds

2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
CID 169436852
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
CID 176680168
(1E)-1-[amino-[6-[[amino-[(E)-[amino-(cyanoamino)methylidene]amino]methylidene]amino]hexylamino]methylidene]-2-isocyanoguanidine
CID 176525520
1-[[[amino-(cyanoamino)methylidene]amino]methyl]-3-cyano-2-[[(N'-cyanocarbamimidoyl)amino]methyl]guanidine
CID 176520531
1-cyano-2-(4-sulfanylidenebutyl)guanidine
CID 22712754
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
1-cyano-2-(3-ethoxypropyl)guanidine
CID 54397686
2-[3-[4-[3-[[amino-(cyanoamino)methylidene]amino]propoxy]phenoxy]propyl]-1-cyanoguanidine
CID 86121328
(1E)-1-[amino-[6-(diaminomethylideneamino)hexylamino]methylidene]-2-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176538744
1-[6-[6-[[amino-(prop-2-ynylamino)methylidene]amino]hexylamino]hexyl]-2-prop-2-ynylguanidine
CID 176517604

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine?
The IUPAC name of 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine (CID 176517039) is 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine.
What is the SMILES notation for 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine?
The canonical SMILES for 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine is N#C/N=C(\N)NCCCCCC/N=C(\N)NC#N.
What is the InChIKey of 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine?
The InChIKey is YXZZOMVBHPCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18).
What are the key properties of 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine?
1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine has a molecular weight of 250.31 g/mol, XLogP of -0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine is sourced from PubChem (CID 176517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).