(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine

C15H20FN — CID 134353285

IUPAC(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine
SMILESC=C(C)C1=CCC(C)/C(=C\C(F)=C(\C)N)C1=C
InChIInChI=1S/C15H20FN/c1-9(2)13-7-6-10(3)14(11(13)4)8-15(16)12(5)17/h7-8,10H,1,4,6,17H2,2-3,5H3/b14-8+,15-12+
InChIKeyABUSJFSVLUJPOT-DYHGJXMBSA-N
MW233.33 g/mol
LogP4.17
Rot. Bonds2

About (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine

(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine (PubChem CID 134353285) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine.

Molecular Properties

Compound Name(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine
PubChem CID134353285
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine
SMILESC=C(C)C1=CCC(C)/C(=C\C(F)=C(\C)N)C1=C
InChIInChI=1S/C15H20FN/c1-9(2)13-7-6-10(3)14(11(13)4)8-15(16)12(5)17/h7-8,10H,1,4,6,17H2,2-3,5H3/b14-8+,15-12+
InChIKeyABUSJFSVLUJPOT-DYHGJXMBSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine?
The IUPAC name of (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine (CID 134353285) is (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine.
What is the SMILES notation for (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine?
The canonical SMILES for (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine is C=C(C)C1=CCC(C)/C(=C\C(F)=C(\C)N)C1=C.
What is the InChIKey of (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine?
The InChIKey is ABUSJFSVLUJPOT-DYHGJXMBSA-N. The full InChI is InChI=1S/C15H20FN/c1-9(2)13-7-6-10(3)14(11(13)4)8-15(16)12(5)17/h7-8,10H,1,4,6,17H2,2-3,5H3/b14-8+,15-12+.
What are the key properties of (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine?
(E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine has a molecular weight of 233.33 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-3-fluoro-4-(6-methyl-2-methylidene-3-prop-1-en-2-ylcyclohex-3-en-1-ylidene)but-2-en-2-amine is sourced from PubChem (CID 134353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).