(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide

C6H11N3 — CID 172985647

IUPAC(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide
SMILESC=C(C)/C=C\C(N)=N/N
InChIInChI=1S/C6H11N3/c1-5(2)3-4-6(7)9-8/h3-4H,1,8H2,2H3,(H2,7,9)/b4-3-
InChIKeyGCPGLEYUNKAWCF-ARJAWSKDSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds2

About (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide

(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide (PubChem CID 172985647) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide
PubChem CID172985647
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide
SMILESC=C(C)/C=C\C(N)=N/N
InChIInChI=1S/C6H11N3/c1-5(2)3-4-6(7)9-8/h3-4H,1,8H2,2H3,(H2,7,9)/b4-3-
InChIKeyGCPGLEYUNKAWCF-ARJAWSKDSA-N
XLogP0.35
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide?
The IUPAC name of (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide (CID 172985647) is (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide is C=C(C)/C=C\C(N)=N/N.
What is the InChIKey of (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide?
The InChIKey is GCPGLEYUNKAWCF-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)3-4-6(7)9-8/h3-4H,1,8H2,2H3,(H2,7,9)/b4-3-.
What are the key properties of (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide?
(2Z)-N'-amino-4-methylpenta-2,4-dienimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N'-amino-4-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 172985647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).