(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide

C13H23F2N3O — CID 129196425

IUPAC(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide
SMILESC/C=C(/C)C(C)/C(OC(F)F)=C(C)/C(=N/C)NNC
InChIInChI=1S/C13H23F2N3O/c1-7-8(2)9(3)11(19-13(14)15)10(4)12(16-5)18-17-6/h7,9,13,17H,1-6H3,(H,16,18)/b8-7-,11-10-
InChIKeyQCSQNLAUPRZDBL-NQLNTKRDSA-N
MW275.34 g/mol
LogP2.85
Rot. Bonds6

About (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide

(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide (PubChem CID 129196425) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide.

Molecular Properties

Compound Name(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide
PubChem CID129196425
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide
SMILESC/C=C(/C)C(C)/C(OC(F)F)=C(C)/C(=N/C)NNC
InChIInChI=1S/C13H23F2N3O/c1-7-8(2)9(3)11(19-13(14)15)10(4)12(16-5)18-17-6/h7,9,13,17H,1-6H3,(H,16,18)/b8-7-,11-10-
InChIKeyQCSQNLAUPRZDBL-NQLNTKRDSA-N
XLogP2.85
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
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CID 143977238

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide?
The IUPAC name of (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide (CID 129196425) is (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide.
What is the SMILES notation for (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide?
The canonical SMILES for (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide is C/C=C(/C)C(C)/C(OC(F)F)=C(C)/C(=N/C)NNC.
What is the InChIKey of (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide?
The InChIKey is QCSQNLAUPRZDBL-NQLNTKRDSA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-7-8(2)9(3)11(19-13(14)15)10(4)12(16-5)18-17-6/h7,9,13,17H,1-6H3,(H,16,18)/b8-7-,11-10-.
What are the key properties of (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide?
(2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide has a molecular weight of 275.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-(difluoromethoxy)-N',2,4,5-tetramethyl-N-(methylamino)hepta-2,5-dienimidamide is sourced from PubChem (CID 129196425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).