(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide

C11H17FN2 — CID 170194613

IUPAC(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
SMILESC=C/N=C(N)/C(=C(\C)CC)C(/F)=C\C
InChIInChI=1S/C11H17FN2/c1-5-8(4)10(9(12)6-2)11(13)14-7-3/h6-7H,3,5H2,1-2,4H3,(H2,13,14)/b9-6+,10-8+
InChIKeyAOTIKEYTIPHAGP-OAMUUVBCSA-N
MW196.27 g/mol
LogP3.09
Rot. Bonds4

About (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide

(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide (PubChem CID 170194613) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
PubChem CID170194613
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
SMILESC=C/N=C(N)/C(=C(\C)CC)C(/F)=C\C
InChIInChI=1S/C11H17FN2/c1-5-8(4)10(9(12)6-2)11(13)14-7-3/h6-7H,3,5H2,1-2,4H3,(H2,13,14)/b9-6+,10-8+
InChIKeyAOTIKEYTIPHAGP-OAMUUVBCSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.09
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

6-amino-N'-ethenyl-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboximidamide
CID 67710886
(E)-3-fluoro-6,6-dimethyl-2,5-dimethylidene-N'-[(Z)-prop-1-enyl]hept-3-enimidamide
CID 89016765
(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(E)-3-[[(3Z,5E)-5-fluorohepta-3,5-dien-2-ylidene]amino]-2-methylprop-2-enimidamide
CID 144208258
N'-ethenyl-3-fluorocyclohexa-1,3-diene-1-carboximidamide
CID 164146879
N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
CID 167098863
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide (CID 170194613) is (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide is C=C/N=C(N)/C(=C(\C)CC)C(/F)=C\C.
What is the InChIKey of (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide?
The InChIKey is AOTIKEYTIPHAGP-OAMUUVBCSA-N. The full InChI is InChI=1S/C11H17FN2/c1-5-8(4)10(9(12)6-2)11(13)14-7-3/h6-7H,3,5H2,1-2,4H3,(H2,13,14)/b9-6+,10-8+.
What are the key properties of (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide?
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide has a molecular weight of 196.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide is sourced from PubChem (CID 170194613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).