(2Z,4Z)-4-methylhexa-2,4-dienimidamide

C7H12N2 — CID 118219398

IUPAC(2Z,4Z)-4-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C\C(C)=C/C
InChIInChI=1S/C7H12N2/c1-3-6(2)4-5-7(8)9/h3-5H,1-2H3,(H3,8,9)/b5-4-,6-3-
InChIKeyUZJCVOKUQRTNSZ-QXYVOPKASA-N
MW124.19 g/mol
LogP1.44
Rot. Bonds2

About (2Z,4Z)-4-methylhexa-2,4-dienimidamide

(2Z,4Z)-4-methylhexa-2,4-dienimidamide (PubChem CID 118219398) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z,4Z)-4-methylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-4-methylhexa-2,4-dienimidamide
PubChem CID118219398
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z,4Z)-4-methylhexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C=C\C(C)=C/C
InChIInChI=1S/C7H12N2/c1-3-6(2)4-5-7(8)9/h3-5H,1-2H3,(H3,8,9)/b5-4-,6-3-
InChIKeyUZJCVOKUQRTNSZ-QXYVOPKASA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.44
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 (2Z,4Z)-4-methylhexa-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-4-methylhexa-2,4-dienimidamide (CID 118219398) is (2Z,4Z)-4-methylhexa-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-4-methylhexa-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-4-methylhexa-2,4-dienimidamide is [H]/N=C(N)/C=C\C(C)=C/C.
What is the InChIKey of (2Z,4Z)-4-methylhexa-2,4-dienimidamide?
The InChIKey is UZJCVOKUQRTNSZ-QXYVOPKASA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6(2)4-5-7(8)9/h3-5H,1-2H3,(H3,8,9)/b5-4-,6-3-.
What are the key properties of (2Z,4Z)-4-methylhexa-2,4-dienimidamide?
(2Z,4Z)-4-methylhexa-2,4-dienimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-methylhexa-2,4-dienimidamide is sourced from PubChem (CID 118219398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).