2,3-dicyano-1-methyl-1-propylguanidine

C7H11N5 — CID 131858921

IUPAC2,3-dicyano-1-methyl-1-propylguanidine
SMILESCCCN(C)/C(=N\C#N)NC#N
InChIInChI=1S/C7H11N5/c1-3-4-12(2)7(10-5-8)11-6-9/h3-4H2,1-2H3,(H,10,11)
InChIKeyYSXWBGSMJABFNQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.24
Rot. Bonds2

About 2,3-dicyano-1-methyl-1-propylguanidine

2,3-dicyano-1-methyl-1-propylguanidine (PubChem CID 131858921) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 2,3-dicyano-1-methyl-1-propylguanidine.

Molecular Properties

Compound Name2,3-dicyano-1-methyl-1-propylguanidine
PubChem CID131858921
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name2,3-dicyano-1-methyl-1-propylguanidine
SMILESCCCN(C)/C(=N\C#N)NC#N
InChIInChI=1S/C7H11N5/c1-3-4-12(2)7(10-5-8)11-6-9/h3-4H2,1-2H3,(H,10,11)
InChIKeyYSXWBGSMJABFNQ-UHFFFAOYSA-N
XLogP0.24
TPSA75.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyano-1-methyl-1-propylguanidine?
The IUPAC name of 2,3-dicyano-1-methyl-1-propylguanidine (CID 131858921) is 2,3-dicyano-1-methyl-1-propylguanidine.
What is the SMILES notation for 2,3-dicyano-1-methyl-1-propylguanidine?
The canonical SMILES for 2,3-dicyano-1-methyl-1-propylguanidine is CCCN(C)/C(=N\C#N)NC#N.
What is the InChIKey of 2,3-dicyano-1-methyl-1-propylguanidine?
The InChIKey is YSXWBGSMJABFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-3-4-12(2)7(10-5-8)11-6-9/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,3-dicyano-1-methyl-1-propylguanidine?
2,3-dicyano-1-methyl-1-propylguanidine has a molecular weight of 165.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyano-1-methyl-1-propylguanidine is sourced from PubChem (CID 131858921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).