(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide

C11H17ClN2 — CID 123364710

IUPAC(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide
SMILESCC=C(Cl)/C=C(C)/C(C)=C/C(N)=N/C
InChIInChI=1S/C11H17ClN2/c1-5-10(12)6-8(2)9(3)7-11(13)14-4/h5-7H,1-4H3,(H2,13,14)/b8-6+,9-7+,10-5?
InChIKeyDDXUICVTVMUGMP-AMUUDEJBSA-N
MW212.72 g/mol
LogP3.01
Rot. Bonds3

About (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide

(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide (PubChem CID 123364710) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide
PubChem CID123364710
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide
SMILESCC=C(Cl)/C=C(C)/C(C)=C/C(N)=N/C
InChIInChI=1S/C11H17ClN2/c1-5-10(12)6-8(2)9(3)7-11(13)14-4/h5-7H,1-4H3,(H2,13,14)/b8-6+,9-7+,10-5?
InChIKeyDDXUICVTVMUGMP-AMUUDEJBSA-N
XLogP3.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.01
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

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
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
CID 130224282
N'-[(2E,4E)-2,5,6-trimethylhepta-2,4,6-trienyl]propanimidamide
CID 134409241
(E)-N',3,4-trimethylpent-2-enimidamide
CID 138495432
(Z)-N',3-dimethylpent-2-enimidamide
CID 142190096
(2Z)-N',4-dimethylpenta-2,4-dienimidamide
CID 143198239
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane
CID 143470292
N'-[(2E)-3-ethyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethanimidamide
CID 147012941
N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide
CID 155728462
N'-[(Z)-2-methylidene-5-methyliminohex-3-enyl]ethanimidamide
CID 155728869

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide?
The IUPAC name of (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide (CID 123364710) is (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide.
What is the SMILES notation for (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide?
The canonical SMILES for (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide is CC=C(Cl)/C=C(C)/C(C)=C/C(N)=N/C.
What is the InChIKey of (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide?
The InChIKey is DDXUICVTVMUGMP-AMUUDEJBSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-5-10(12)6-8(2)9(3)7-11(13)14-4/h5-7H,1-4H3,(H2,13,14)/b8-6+,9-7+,10-5?.
What are the key properties of (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide?
(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide has a molecular weight of 212.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide is sourced from PubChem (CID 123364710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).