(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide

C18H31FN2 — CID 130439404

IUPAC(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
SMILESC=C(C(C)C)N(CCC)C(=N/C)/C(C)=C/C(=C)C(C)(C)F
InChIInChI=1S/C18H31FN2/c1-10-11-21(16(6)13(2)3)17(20-9)14(4)12-15(5)18(7,8)19/h12-13H,5-6,10-11H2,1-4,7-9H3/b14-12+,20-17+
InChIKeyGFQYMTKJOAIMIM-KTMWLEFISA-N
MW294.46 g/mol
LogP5.15
Rot. Bonds7

About (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide

(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide (PubChem CID 130439404) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide.

Molecular Properties

Compound Name(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
PubChem CID130439404
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
SMILESC=C(C(C)C)N(CCC)C(=N/C)/C(C)=C/C(=C)C(C)(C)F
InChIInChI=1S/C18H31FN2/c1-10-11-21(16(6)13(2)3)17(20-9)14(4)12-15(5)18(7,8)19/h12-13H,5-6,10-11H2,1-4,7-9H3/b14-12+,20-17+
InChIKeyGFQYMTKJOAIMIM-KTMWLEFISA-N
XLogP5.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide?
The IUPAC name of (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide (CID 130439404) is (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide.
What is the SMILES notation for (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide?
The canonical SMILES for (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide is C=C(C(C)C)N(CCC)C(=N/C)/C(C)=C/C(=C)C(C)(C)F.
What is the InChIKey of (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide?
The InChIKey is GFQYMTKJOAIMIM-KTMWLEFISA-N. The full InChI is InChI=1S/C18H31FN2/c1-10-11-21(16(6)13(2)3)17(20-9)14(4)12-15(5)18(7,8)19/h12-13H,5-6,10-11H2,1-4,7-9H3/b14-12+,20-17+.
What are the key properties of (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide?
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide has a molecular weight of 294.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide is sourced from PubChem (CID 130439404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).