N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide

C9H17N5 — CID 176545866

IUPACN'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide
SMILESCC/N=C/N/C=N/C=C/N=C(/N)CC
InChIInChI=1S/C9H17N5/c1-3-9(10)14-6-5-12-8-13-7-11-4-2/h5-8H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)/b6-5+
InChIKeyCEDNLRHZRPPKLY-AATRIKPKSA-N
MW195.27 g/mol
LogP0.89
Rot. Bonds6

About N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide

N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide (PubChem CID 176545866) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide
PubChem CID176545866
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide
SMILESCC/N=C/N/C=N/C=C/N=C(/N)CC
InChIInChI=1S/C9H17N5/c1-3-9(10)14-6-5-12-8-13-7-11-4-2/h5-8H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)/b6-5+
InChIKeyCEDNLRHZRPPKLY-AATRIKPKSA-N
XLogP0.89
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.89
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide?
The IUPAC name of N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide (CID 176545866) is N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide.
What is the SMILES notation for N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide?
The canonical SMILES for N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide is CC/N=C/N/C=N/C=C/N=C(/N)CC.
What is the InChIKey of N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide?
The InChIKey is CEDNLRHZRPPKLY-AATRIKPKSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-9(10)14-6-5-12-8-13-7-11-4-2/h5-8H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)/b6-5+.
What are the key properties of N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide?
N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide has a molecular weight of 195.27 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-[(ethyliminomethylamino)methylideneamino]ethenyl]propanimidamide is sourced from PubChem (CID 176545866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).