(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine

C13H17FN2 — CID 167098863

IUPAC(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
SMILESC=c1c(N)ncc(F)/c1=C(/C=C\C)C(C)C
InChIInChI=1S/C13H17FN2/c1-5-6-10(8(2)3)12-9(4)13(15)16-7-11(12)14/h5-8H,4H2,1-3H3,(H2,15,16)/b6-5-,12-10-
InChIKeyHKYQGJPVIHYCQI-BYZVSTBBSA-N
MW220.29 g/mol
LogP1.60
Rot. Bonds2

About (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine

(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine (PubChem CID 167098863) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine.

Molecular Properties

Compound Name(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
PubChem CID167098863
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
SMILESC=c1c(N)ncc(F)/c1=C(/C=C\C)C(C)C
InChIInChI=1S/C13H17FN2/c1-5-6-10(8(2)3)12-9(4)13(15)16-7-11(12)14/h5-8H,4H2,1-3H3,(H2,15,16)/b6-5-,12-10-
InChIKeyHKYQGJPVIHYCQI-BYZVSTBBSA-N
XLogP1.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
3-ethyl-6-fluoro-5-methyl-3H-azepin-2-amine
CID 126755990
(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
N'-ethenyl-3-fluorocyclohexa-1,3-diene-1-carboximidamide
CID 164146879
(E)-N'-[(E)-but-1-enyl]-3-fluoro-5-methyl-2-propan-2-ylidenehept-3-enimidamide
CID 170192926
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
CID 170194613
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
3,4-Di(ethylidene)-5-methylpyridin-2-amine
CID 90910641

Frequently Asked Questions

What is the IUPAC name of (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine?
The IUPAC name of (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine (CID 167098863) is (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine.
What is the SMILES notation for (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine?
The canonical SMILES for (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine is C=c1c(N)ncc(F)/c1=C(/C=C\C)C(C)C.
What is the InChIKey of (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine?
The InChIKey is HKYQGJPVIHYCQI-BYZVSTBBSA-N. The full InChI is InChI=1S/C13H17FN2/c1-5-6-10(8(2)3)12-9(4)13(15)16-7-11(12)14/h5-8H,4H2,1-3H3,(H2,15,16)/b6-5-,12-10-.
What are the key properties of (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine?
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine has a molecular weight of 220.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine is sourced from PubChem (CID 167098863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).