(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide

C12H19N5 — CID 118973188

IUPAC(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide
SMILESC=NC(=C\N=C\CC)/C=C(C)/C(=N/C)/N=C/N
InChIInChI=1S/C12H19N5/c1-5-6-16-8-11(14-3)7-10(2)12(15-4)17-9-13/h6-9H,3,5H2,1-2,4H3,(H2,13,15,17)/b10-7+,11-8-,16-6+
InChIKeyWLVVKNUMYIIXMN-QYGHMLGPSA-N
MW233.32 g/mol
LogP1.97
Rot. Bonds5

About (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide

(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide (PubChem CID 118973188) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide
PubChem CID118973188
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide
SMILESC=NC(=C\N=C\CC)/C=C(C)/C(=N/C)/N=C/N
InChIInChI=1S/C12H19N5/c1-5-6-16-8-11(14-3)7-10(2)12(15-4)17-9-13/h6-9H,3,5H2,1-2,4H3,(H2,13,15,17)/b10-7+,11-8-,16-6+
InChIKeyWLVVKNUMYIIXMN-QYGHMLGPSA-N
XLogP1.97
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
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 (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide (CID 118973188) is (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide is C=NC(=C\N=C\CC)/C=C(C)/C(=N/C)/N=C/N.
What is the InChIKey of (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide?
The InChIKey is WLVVKNUMYIIXMN-QYGHMLGPSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-6-16-8-11(14-3)7-10(2)12(15-4)17-9-13/h6-9H,3,5H2,1-2,4H3,(H2,13,15,17)/b10-7+,11-8-,16-6+.
What are the key properties of (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide?
(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide has a molecular weight of 233.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide is sourced from PubChem (CID 118973188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).