1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide

C9H20IN5 — CID 45048526

IUPAC1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide
SMILESCCC(C)=NN/C(N)=N/N=C(\C)CC.I
InChIInChI=1S/C9H19N5.HI/c1-5-7(3)11-13-9(10)14-12-8(4)6-2;/h5-6H2,1-4H3,(H3,10,13,14);1H/b11-7+,12-8?;
InChIKeyZKAFQSRCVSPSRV-CIZSRGJASA-N
MW325.20 g/mol
LogP2.08
Rot. Bonds4

About 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide

1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide (PubChem CID 45048526) has the molecular formula C9H20IN5 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide
PubChem CID45048526
Molecular FormulaC9H20IN5
Molecular Weight325.20 g/mol
Exact Mass325.08
IUPAC Name1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide
SMILESCCC(C)=NN/C(N)=N/N=C(\C)CC.I
InChIInChI=1S/C9H19N5.HI/c1-5-7(3)11-13-9(10)14-12-8(4)6-2;/h5-6H2,1-4H3,(H3,10,13,14);1H/b11-7+,12-8?;
InChIKeyZKAFQSRCVSPSRV-CIZSRGJASA-N
XLogP2.08
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide 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 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide?
The IUPAC name of 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide (CID 45048526) is 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide.
What is the SMILES notation for 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide?
The canonical SMILES for 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide is CCC(C)=NN/C(N)=N/N=C(\C)CC.I.
What is the InChIKey of 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide?
The InChIKey is ZKAFQSRCVSPSRV-CIZSRGJASA-N. The full InChI is InChI=1S/C9H19N5.HI/c1-5-7(3)11-13-9(10)14-12-8(4)6-2;/h5-6H2,1-4H3,(H3,10,13,14);1H/b11-7+,12-8?;.
What are the key properties of 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide?
1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide has a molecular weight of 325.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide is sourced from PubChem (CID 45048526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).