(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine

C7H14N4 — CID 123544717

IUPAC(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine
SMILES[H]/N=C(\C=N\N=C\C)C(N)CC
InChIInChI=1S/C7H14N4/c1-3-6(8)7(9)5-11-10-4-2/h4-6,9H,3,8H2,1-2H3/b9-7+,10-4+,11-5+
InChIKeyXHUYAEKPAOUYNQ-PQOYXZFVSA-N
MW154.22 g/mol
LogP0.82
Rot. Bonds4

About (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine

(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine (PubChem CID 123544717) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine.

Molecular Properties

Compound Name(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine
PubChem CID123544717
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine
SMILES[H]/N=C(\C=N\N=C\C)C(N)CC
InChIInChI=1S/C7H14N4/c1-3-6(8)7(9)5-11-10-4-2/h4-6,9H,3,8H2,1-2H3/b9-7+,10-4+,11-5+
InChIKeyXHUYAEKPAOUYNQ-PQOYXZFVSA-N
XLogP0.82
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine?
The IUPAC name of (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine (CID 123544717) is (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine.
What is the SMILES notation for (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine?
The canonical SMILES for (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine is [H]/N=C(\C=N\N=C\C)C(N)CC.
What is the InChIKey of (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine?
The InChIKey is XHUYAEKPAOUYNQ-PQOYXZFVSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-6(8)7(9)5-11-10-4-2/h4-6,9H,3,8H2,1-2H3/b9-7+,10-4+,11-5+.
What are the key properties of (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine?
(1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine has a molecular weight of 154.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(E)-ethylidenehydrazinylidene]-2-iminopentan-3-amine is sourced from PubChem (CID 123544717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).