(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide

C11H18N4 — CID 123811047

IUPAC(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=C/C
InChIInChI=1S/C11H18N4/c1-4-8(3)6-7-9(5-2)10(12)15-11(13)14/h5-7H,3-4H2,1-2H3,(H5,12,13,14,15)/b7-6-,9-5+
InChIKeyPYKACIJUPIWGDH-QRLJIZSYSA-N
MW206.29 g/mol
LogP1.71
Rot. Bonds4

About (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide

(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide (PubChem CID 123811047) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide.

Molecular Properties

Compound Name(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
PubChem CID123811047
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
SMILES[H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=C/C
InChIInChI=1S/C11H18N4/c1-4-8(3)6-7-9(5-2)10(12)15-11(13)14/h5-7H,3-4H2,1-2H3,(H5,12,13,14,15)/b7-6-,9-5+
InChIKeyPYKACIJUPIWGDH-QRLJIZSYSA-N
XLogP1.71
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
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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Related Compounds

(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
N'-methylbicyclo[4.2.0]octa-1(8),2,4,6-tetraene-7-carboximidamide
CID 21447262
N'-methylcyclopenta-1,3-diene-1-carboximidamide
CID 58746429
(2E,3Z)-2-ethylidenehexa-3,5-dienimidamide
CID 117660284
N'-(cyclohexa-1,3-diene-1-carboximidoyl)cyclohexa-1,5-diene-1-carboximidamide
CID 118363268
N-[(2E,4Z)-1-amino-2-methylhepta-2,4,6-trienylidene]cyclopenta-1,2,4-triene-1-carboximidamide
CID 118641902
(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 118642057
N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
CID 123140467
(4E)-2,5-dimethylhepta-2,4-dienimidamide
CID 123195726
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide?
The IUPAC name of (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide (CID 123811047) is (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide.
What is the SMILES notation for (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide?
The canonical SMILES for (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide is [H]/N=C(\N)N=C(N)C(/C=C\C(=C)CC)=C/C.
What is the InChIKey of (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide?
The InChIKey is PYKACIJUPIWGDH-QRLJIZSYSA-N. The full InChI is InChI=1S/C11H18N4/c1-4-8(3)6-7-9(5-2)10(12)15-11(13)14/h5-7H,3-4H2,1-2H3,(H5,12,13,14,15)/b7-6-,9-5+.
What are the key properties of (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide?
(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide has a molecular weight of 206.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide is sourced from PubChem (CID 123811047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).