(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide

C11H18N2 — CID 123185969

IUPAC(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
SMILESC=C(C)/C=C\C(=C/C)\C(=N\C)NC
InChIInChI=1S/C11H18N2/c1-6-10(8-7-9(2)3)11(12-4)13-5/h6-8H,2H2,1,3-5H3,(H,12,13)/b8-7-,10-6+
InChIKeyDTJMNMIWBNKJRB-SDHBEMGISA-N
MW178.28 g/mol
LogP2.31
Rot. Bonds3

About (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide

(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide (PubChem CID 123185969) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
PubChem CID123185969
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
SMILESC=C(C)/C=C\C(=C/C)\C(=N\C)NC
InChIInChI=1S/C11H18N2/c1-6-10(8-7-9(2)3)11(12-4)13-5/h6-8H,2H2,1,3-5H3,(H,12,13)/b8-7-,10-6+
InChIKeyDTJMNMIWBNKJRB-SDHBEMGISA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.31
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
[(2Z,4E)-5-(N,N'-dimethylcarbamimidoyl)-6-methylhepta-2,4,6-trien-3-yl]-ethylborinic acid
CID 89180885
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
N'-methyl-2-methylidenehex-3-enimidamide
CID 123957031
(3E)-N-ethenyl-3-[(Z)-3-(methyliminomethyl)pent-3-en-2-ylidene]pyrrol-2-amine
CID 126663390
(3Z)-N-ethenyl-3-(3-methyl-2-methylidenebutylidene)pyrrol-2-amine
CID 130179056
(3Z)-5-amino-N,N',6-trimethylhepta-3,5-dienimidamide
CID 130372082
(2E,4Z)-N,N',2-tris(ethenyl)-5-propan-2-ylhepta-2,4,6-trienimidamide
CID 134450662
(Z)-N,N',2-tris(ethenyl)-5,5-dimethyl-4-methylidenehex-2-enimidamide
CID 134502375

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide?
The IUPAC name of (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide (CID 123185969) is (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide?
The canonical SMILES for (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide is C=C(C)/C=C\C(=C/C)\C(=N\C)NC.
What is the InChIKey of (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide?
The InChIKey is DTJMNMIWBNKJRB-SDHBEMGISA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10(8-7-9(2)3)11(12-4)13-5/h6-8H,2H2,1,3-5H3,(H,12,13)/b8-7-,10-6+.
What are the key properties of (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide?
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide is sourced from PubChem (CID 123185969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).