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

C9H18N4 — CID 144752847

IUPAC(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane
SMILESCC.[H]/N=C(/C=C\C(C)=N\[H])\N=C(/C)N
InChIInChI=1S/C7H12N4.C2H6/c1-5(8)3-4-7(10)11-6(2)9;1-2/h3-4,8H,1-2H3,(H3,9,10,11);1-2H3/b4-3-,8-5+;
InChIKeyAHHTVQKNSJAAAW-NEAARWFISA-N
MW182.27 g/mol
LogP1.96
Rot. Bonds2

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

(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane (PubChem CID 144752847) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane.

Molecular Properties

Compound Name(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane
PubChem CID144752847
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane
SMILESCC.[H]/N=C(/C=C\C(C)=N\[H])\N=C(/C)N
InChIInChI=1S/C7H12N4.C2H6/c1-5(8)3-4-7(10)11-6(2)9;1-2/h3-4,8H,1-2H3,(H3,9,10,11);1-2H3/b4-3-,8-5+;
InChIKeyAHHTVQKNSJAAAW-NEAARWFISA-N
XLogP1.96
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.96
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;ethane?
The IUPAC name of (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane (CID 144752847) is (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane.
What is the SMILES notation for (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane?
The canonical SMILES for (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane is CC.[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;ethane?
The InChIKey is AHHTVQKNSJAAAW-NEAARWFISA-N. The full InChI is InChI=1S/C7H12N4.C2H6/c1-5(8)3-4-7(10)11-6(2)9;1-2/h3-4,8H,1-2H3,(H3,9,10,11);1-2H3/b4-3-,8-5+;.
What are the key properties of (Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane?
(Z)-N-(1-aminoethylidene)-4-iminopent-2-enimidamide;ethane has a molecular weight of 182.27 g/mol, XLogP of 1.96, 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;ethane is sourced from PubChem (CID 144752847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).