N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine

C13H26N8 — CID 176680168

IUPACN'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
SMILESCNCCCCCCCC/N=C(\N)NC#N.N#C/N=C/N
InChIInChI=1S/C11H23N5.C2H3N3/c1-14-8-6-4-2-3-5-7-9-15-11(13)16-10-12;3-1-5-2-4/h14H,2-9H2,1H3,(H3,13,15,16);1H,(H2,3,5)
InChIKeyRRTUUMLTEIUVPC-UHFFFAOYSA-N
MW294.41 g/mol
LogP0.39
Rot. Bonds9

About N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine

N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine (PubChem CID 176680168) has the molecular formula C13H26N8 and a molecular weight of 294.41 g/mol. Its IUPAC name is N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine.

Molecular Properties

Compound NameN'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
PubChem CID176680168
Molecular FormulaC13H26N8
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC NameN'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
SMILESCNCCCCCCCC/N=C(\N)NC#N.N#C/N=C/N
InChIInChI=1S/C11H23N5.C2H3N3/c1-14-8-6-4-2-3-5-7-9-15-11(13)16-10-12;3-1-5-2-4/h14H,2-9H2,1H3,(H3,13,15,16);1H,(H2,3,5)
InChIKeyRRTUUMLTEIUVPC-UHFFFAOYSA-N
XLogP0.39
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

1-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2-cyanoguanidine
CID 176517039
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
CID 169436852
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-cyano-2-(4-sulfanylidenebutyl)guanidine
CID 22712754
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
CID 59890718
CID 59890718
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
1-cyano-2-(3-ethoxypropyl)guanidine
CID 54397686
2-[3-[4-[3-[[amino-(cyanoamino)methylidene]amino]propoxy]phenoxy]propyl]-1-cyanoguanidine
CID 86121328
2-[6-imino-11-(methylamino)undecyl]guanidine
CID 58076497
(1E)-1-[amino-[6-[[amino-[(E)-[amino-(cyanoamino)methylidene]amino]methylidene]amino]hexylamino]methylidene]-2-isocyanoguanidine
CID 176525520
2-[7-(ethylamino)heptyl]guanidine
CID 10104259

Frequently Asked Questions

What is the IUPAC name of N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine?
The IUPAC name of N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine (CID 176680168) is N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine.
What is the SMILES notation for N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine?
The canonical SMILES for N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine is CNCCCCCCCC/N=C(\N)NC#N.N#C/N=C/N.
What is the InChIKey of N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine?
The InChIKey is RRTUUMLTEIUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5.C2H3N3/c1-14-8-6-4-2-3-5-7-9-15-11(13)16-10-12;3-1-5-2-4/h14H,2-9H2,1H3,(H3,13,15,16);1H,(H2,3,5).
What are the key properties of N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine?
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine has a molecular weight of 294.41 g/mol, XLogP of 0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine is sourced from PubChem (CID 176680168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).