(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide

C8H13N3 — CID 134224060

IUPAC(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
SMILESC=N/C=C(\C=C/C)C(/N)=N/C
InChIInChI=1S/C8H13N3/c1-4-5-7(6-10-2)8(9)11-3/h4-6H,2H2,1,3H3,(H2,9,11)/b5-4-,7-6+
InChIKeyDMIPJZMBJPYENB-SCFJQAPRSA-N
MW151.21 g/mol
LogP1.13
Rot. Bonds3

About (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide

(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide (PubChem CID 134224060) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide.

Molecular Properties

Compound Name(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
PubChem CID134224060
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
SMILESC=N/C=C(\C=C/C)C(/N)=N/C
InChIInChI=1S/C8H13N3/c1-4-5-7(6-10-2)8(9)11-3/h4-6H,2H2,1,3H3,(H2,9,11)/b5-4-,7-6+
InChIKeyDMIPJZMBJPYENB-SCFJQAPRSA-N
XLogP1.13
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide?
The IUPAC name of (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide (CID 134224060) is (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide.
What is the SMILES notation for (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide?
The canonical SMILES for (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide is C=N/C=C(\C=C/C)C(/N)=N/C.
What is the InChIKey of (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide?
The InChIKey is DMIPJZMBJPYENB-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-5-7(6-10-2)8(9)11-3/h4-6H,2H2,1,3H3,(H2,9,11)/b5-4-,7-6+.
What are the key properties of (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide?
(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide is sourced from PubChem (CID 134224060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).