(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide

C11H18N2 — CID 134286810

IUPAC(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide
SMILESC=C(/C=C\C=C/C/C(N)=N/C)CC
InChIInChI=1S/C11H18N2/c1-4-10(2)8-6-5-7-9-11(12)13-3/h5-8H,2,4,9H2,1,3H3,(H2,12,13)/b7-5-,8-6-
InChIKeyGHKSTVYXNZTWRB-SFECMWDFSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds5

About (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide

(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide (PubChem CID 134286810) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide
PubChem CID134286810
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide
SMILESC=C(/C=C\C=C/C/C(N)=N/C)CC
InChIInChI=1S/C11H18N2/c1-4-10(2)8-6-5-7-9-11(12)13-3/h5-8H,2,4,9H2,1,3H3,(H2,12,13)/b7-5-,8-6-
InChIKeyGHKSTVYXNZTWRB-SFECMWDFSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
N',4-dimethylpenta-2,4-dienimidamide
CID 123250461
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
(Z)-N'-carbamimidoyl-5-methylidene-2-methyliminohept-3-enimidamide
CID 123462386
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
(Z,2E)-N'-carbamimidoyl-2-ethylidene-5-methylidenehept-3-enimidamide
CID 123811047
N'-methyl-2-methylidenehex-3-enimidamide
CID 123957031
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
CID 130224282
(1E,3Z)-N'-methylcycloocta-1,3,6-triene-1-carboximidamide
CID 132095951
2,2-dimethyl-N'-[(1Z,3Z)-2-methylpenta-1,3-dienyl]propanimidamide
CID 132108296
(2E,4Z)-3-ethyl-N',4-dimethyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 132236435

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide?
The IUPAC name of (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide (CID 134286810) is (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide.
What is the SMILES notation for (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide?
The canonical SMILES for (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide is C=C(/C=C\C=C/C/C(N)=N/C)CC.
What is the InChIKey of (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide?
The InChIKey is GHKSTVYXNZTWRB-SFECMWDFSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(2)8-6-5-7-9-11(12)13-3/h5-8H,2,4,9H2,1,3H3,(H2,12,13)/b7-5-,8-6-.
What are the key properties of (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide?
(3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N'-methyl-7-methylidenenona-3,5-dienimidamide is sourced from PubChem (CID 134286810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).