2-(6-carbamimidamidohexyl)-1-cyanoguanidine

C9H19N7 — CID 176546132

IUPAC2-(6-carbamimidamidohexyl)-1-cyanoguanidine
SMILES[H]/N=C(\N)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C9H19N7/c10-7-16-9(13)15-6-4-2-1-3-5-14-8(11)12/h1-6H2,(H4,11,12,14)(H3,13,15,16)
InChIKeyKSLBLLKOIMHZRV-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.58
Rot. Bonds7

About 2-(6-carbamimidamidohexyl)-1-cyanoguanidine

2-(6-carbamimidamidohexyl)-1-cyanoguanidine (PubChem CID 176546132) has the molecular formula C9H19N7 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(6-carbamimidamidohexyl)-1-cyanoguanidine.

Molecular Properties

Compound Name2-(6-carbamimidamidohexyl)-1-cyanoguanidine
PubChem CID176546132
Molecular FormulaC9H19N7
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2-(6-carbamimidamidohexyl)-1-cyanoguanidine
SMILES[H]/N=C(\N)NCCCCCC/N=C(\N)NC#N
InChIInChI=1S/C9H19N7/c10-7-16-9(13)15-6-4-2-1-3-5-14-8(11)12/h1-6H2,(H4,11,12,14)(H3,13,15,16)
InChIKeyKSLBLLKOIMHZRV-UHFFFAOYSA-N
XLogP-0.58
TPSA136.10 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-(9-carbamimidamidononyl)guanidine
CID 176533990
N-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-2,2-dimethylpropanamide
CID 169436852
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
1-[amino-[6-[[amino-(cyanoamino)methylidene]amino]hexylamino]methylidene]-2-(7-aminoheptyl)guanidine
CID 176524346
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
CID 176680168
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
CID 176532250
CID 176532250

Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamimidamidohexyl)-1-cyanoguanidine?
The IUPAC name of 2-(6-carbamimidamidohexyl)-1-cyanoguanidine (CID 176546132) is 2-(6-carbamimidamidohexyl)-1-cyanoguanidine.
What is the SMILES notation for 2-(6-carbamimidamidohexyl)-1-cyanoguanidine?
The canonical SMILES for 2-(6-carbamimidamidohexyl)-1-cyanoguanidine is [H]/N=C(\N)NCCCCCC/N=C(\N)NC#N.
What is the InChIKey of 2-(6-carbamimidamidohexyl)-1-cyanoguanidine?
The InChIKey is KSLBLLKOIMHZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N7/c10-7-16-9(13)15-6-4-2-1-3-5-14-8(11)12/h1-6H2,(H4,11,12,14)(H3,13,15,16).
What are the key properties of 2-(6-carbamimidamidohexyl)-1-cyanoguanidine?
2-(6-carbamimidamidohexyl)-1-cyanoguanidine has a molecular weight of 225.30 g/mol, XLogP of -0.58, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamimidamidohexyl)-1-cyanoguanidine is sourced from PubChem (CID 176546132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).