(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide

C8H14N4 — CID 137123519

IUPAC(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C(N)=C(\C=C/C)NC=C
InChIInChI=1S/C8H14N4/c1-3-5-6(12-4-2)7(9)8(10)11/h3-5,12H,2,9H2,1H3,(H3,10,11)/b5-3-,7-6-
InChIKeySOLGOIPJSIKRGH-VKLRWAGZSA-N
MW166.23 g/mol
LogP0.40
Rot. Bonds4

About (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide

(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide (PubChem CID 137123519) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide
PubChem CID137123519
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide
SMILES[H]/N=C(N)/C(N)=C(\C=C/C)NC=C
InChIInChI=1S/C8H14N4/c1-3-5-6(12-4-2)7(9)8(10)11/h3-5,12H,2,9H2,1H3,(H3,10,11)/b5-3-,7-6-
InChIKeySOLGOIPJSIKRGH-VKLRWAGZSA-N
XLogP0.40
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide?
The IUPAC name of (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide (CID 137123519) is (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide.
What is the SMILES notation for (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide?
The canonical SMILES for (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide is [H]/N=C(N)/C(N)=C(\C=C/C)NC=C.
What is the InChIKey of (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide?
The InChIKey is SOLGOIPJSIKRGH-VKLRWAGZSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-5-6(12-4-2)7(9)8(10)11/h3-5,12H,2,9H2,1H3,(H3,10,11)/b5-3-,7-6-.
What are the key properties of (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide?
(2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-3-(ethenylamino)hexa-2,4-dienimidamide is sourced from PubChem (CID 137123519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).