2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine

C11H21N9 — CID 71325810

IUPAC2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
SMILESCN(CCC/N=C(\N)NC#N)CCC/N=C(\N)NC#N
InChIInChI=1S/C11H21N9/c1-20(6-2-4-16-10(14)18-8-12)7-3-5-17-11(15)19-9-13/h2-7H2,1H3,(H3,14,16,18)(H3,15,17,19)
InChIKeyABWPJXSPNZBCPR-UHFFFAOYSA-N
MW279.35 g/mol
LogP-1.53
Rot. Bonds8

About 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine

2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine (PubChem CID 71325810) has the molecular formula C11H21N9 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine.

Molecular Properties

Compound Name2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
PubChem CID71325810
Molecular FormulaC11H21N9
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
SMILESCN(CCC/N=C(\N)NC#N)CCC/N=C(\N)NC#N
InChIInChI=1S/C11H21N9/c1-20(6-2-4-16-10(14)18-8-12)7-3-5-17-11(15)19-9-13/h2-7H2,1H3,(H3,14,16,18)(H3,15,17,19)
InChIKeyABWPJXSPNZBCPR-UHFFFAOYSA-N
XLogP-1.53
TPSA151.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-1.53
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'}

Analyze 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine?
The IUPAC name of 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine (CID 71325810) is 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine.
What is the SMILES notation for 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine?
The canonical SMILES for 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine is CN(CCC/N=C(\N)NC#N)CCC/N=C(\N)NC#N.
What is the InChIKey of 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine?
The InChIKey is ABWPJXSPNZBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N9/c1-20(6-2-4-16-10(14)18-8-12)7-3-5-17-11(15)19-9-13/h2-7H2,1H3,(H3,14,16,18)(H3,15,17,19).
What are the key properties of 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine?
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine has a molecular weight of 279.35 g/mol, XLogP of -1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine is sourced from PubChem (CID 71325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).