(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide

C7H12N4 — CID 144752848

IUPAC(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])\N=C(/C)N
InChIInChI=1S/C7H12N4/c1-5(8)3-4-7(10)11-6(2)9/h3-4,8H,1-2H3,(H3,9,10,11)/b4-3-,8-5+
InChIKeyFFMYWIZLDOGOCK-HMRFFJRGSA-N
MW152.20 g/mol
LogP0.94
Rot. Bonds2

About (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide

(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide (PubChem CID 144752848) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide
PubChem CID144752848
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])\N=C(/C)N
InChIInChI=1S/C7H12N4/c1-5(8)3-4-7(10)11-6(2)9/h3-4,8H,1-2H3,(H3,9,10,11)/b4-3-,8-5+
InChIKeyFFMYWIZLDOGOCK-HMRFFJRGSA-N
XLogP0.94
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide?
The IUPAC name of (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide (CID 144752848) is (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide?
The canonical SMILES for (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide is [H]/N=C(/C=C\C(C)=N\[H])\N=C(/C)N.
What is the InChIKey of (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide?
The InChIKey is FFMYWIZLDOGOCK-HMRFFJRGSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(8)3-4-7(10)11-6(2)9/h3-4,8H,1-2H3,(H3,9,10,11)/b4-3-,8-5+.
What are the key properties of (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide?
(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide is sourced from PubChem (CID 144752848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).