(3Z,5Z)-2-iminohepta-3,5-dienimidamide

C7H11N3 — CID 147334801

IUPAC(3Z,5Z)-2-iminohepta-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C\C=C/C)=N/[H]
InChIInChI=1S/C7H11N3/c1-2-3-4-5-6(8)7(9)10/h2-5,8H,1H3,(H3,9,10)/b3-2-,5-4-,8-6+
InChIKeyDCITZAGWGIZEIG-FKPAUSHJSA-N
MW137.19 g/mol
LogP1.07
Rot. Bonds3

About (3Z,5Z)-2-iminohepta-3,5-dienimidamide

(3Z,5Z)-2-iminohepta-3,5-dienimidamide (PubChem CID 147334801) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (3Z,5Z)-2-iminohepta-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-2-iminohepta-3,5-dienimidamide
PubChem CID147334801
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(3Z,5Z)-2-iminohepta-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C\C=C/C)=N/[H]
InChIInChI=1S/C7H11N3/c1-2-3-4-5-6(8)7(9)10/h2-5,8H,1H3,(H3,9,10)/b3-2-,5-4-,8-6+
InChIKeyDCITZAGWGIZEIG-FKPAUSHJSA-N
XLogP1.07
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.07
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-iminohepta-3,5-dienimidamide?
The IUPAC name of (3Z,5Z)-2-iminohepta-3,5-dienimidamide (CID 147334801) is (3Z,5Z)-2-iminohepta-3,5-dienimidamide.
What is the SMILES notation for (3Z,5Z)-2-iminohepta-3,5-dienimidamide?
The canonical SMILES for (3Z,5Z)-2-iminohepta-3,5-dienimidamide is [H]/N=C(N)/C(/C=C\C=C/C)=N/[H].
What is the InChIKey of (3Z,5Z)-2-iminohepta-3,5-dienimidamide?
The InChIKey is DCITZAGWGIZEIG-FKPAUSHJSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-5-6(8)7(9)10/h2-5,8H,1H3,(H3,9,10)/b3-2-,5-4-,8-6+.
What are the key properties of (3Z,5Z)-2-iminohepta-3,5-dienimidamide?
(3Z,5Z)-2-iminohepta-3,5-dienimidamide has a molecular weight of 137.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-iminohepta-3,5-dienimidamide is sourced from PubChem (CID 147334801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).