N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

C15H26FN3 — CID 155779407

IUPACN'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILESCCC/C=C(F)/N=C(/N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C15H26FN3/c1-6-8-9-13(16)19-15(17)14(11(3)4)18-10-12(5)7-2/h9-10,12H,6-8H2,1-5H3,(H2,17,19)/b13-9+,18-10+
InChIKeyGGLWNMJNDBBSHM-BUHHDHKDSA-N
MW267.39 g/mol
LogP4.37
Rot. Bonds7

About N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide

N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (PubChem CID 155779407) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
PubChem CID155779407
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide
SMILESCCC/C=C(F)/N=C(/N)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C15H26FN3/c1-6-8-9-13(16)19-15(17)14(11(3)4)18-10-12(5)7-2/h9-10,12H,6-8H2,1-5H3,(H2,17,19)/b13-9+,18-10+
InChIKeyGGLWNMJNDBBSHM-BUHHDHKDSA-N
XLogP4.37
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The IUPAC name of N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide (CID 155779407) is N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide.
What is the SMILES notation for N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The canonical SMILES for N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is CCC/C=C(F)/N=C(/N)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
The InChIKey is GGLWNMJNDBBSHM-BUHHDHKDSA-N. The full InChI is InChI=1S/C15H26FN3/c1-6-8-9-13(16)19-15(17)14(11(3)4)18-10-12(5)7-2/h9-10,12H,6-8H2,1-5H3,(H2,17,19)/b13-9+,18-10+.
What are the key properties of N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide?
N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide has a molecular weight of 267.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-fluoropent-1-enyl]-3-methyl-2-(2-methylbutylideneamino)but-2-enimidamide is sourced from PubChem (CID 155779407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).