(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide

C9H15N3 — CID 126593691

IUPAC(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide
SMILES[H]/N=C/N=C(N)/C=C/C=C/C(C)C
InChIInChI=1S/C9H15N3/c1-8(2)5-3-4-6-9(11)12-7-10/h3-8H,1-2H3,(H3,10,11,12)/b5-3+,6-4+
InChIKeyCSMLZAFMGIRLRY-GGWOSOGESA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds4

About (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide

(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide (PubChem CID 126593691) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide
PubChem CID126593691
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide
SMILES[H]/N=C/N=C(N)/C=C/C=C/C(C)C
InChIInChI=1S/C9H15N3/c1-8(2)5-3-4-6-9(11)12-7-10/h3-8H,1-2H3,(H3,10,11,12)/b5-3+,6-4+
InChIKeyCSMLZAFMGIRLRY-GGWOSOGESA-N
XLogP1.72
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide?
The IUPAC name of (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide (CID 126593691) is (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide.
What is the SMILES notation for (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide?
The canonical SMILES for (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide is [H]/N=C/N=C(N)/C=C/C=C/C(C)C.
What is the InChIKey of (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide?
The InChIKey is CSMLZAFMGIRLRY-GGWOSOGESA-N. The full InChI is InChI=1S/C9H15N3/c1-8(2)5-3-4-6-9(11)12-7-10/h3-8H,1-2H3,(H3,10,11,12)/b5-3+,6-4+.
What are the key properties of (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide?
(2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide has a molecular weight of 165.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N'-methanimidoyl-6-methylhepta-2,4-dienimidamide is sourced from PubChem (CID 126593691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).