(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine

C11H18F3N — CID 166991754

IUPAC(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine
SMILESC=C(C)/C=C(\NC(C)CCC)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-5-6-9(4)15-10(7-8(2)3)11(12,13)14/h7,9,15H,2,5-6H2,1,3-4H3/b10-7-
InChIKeyXWBFNCDBXKYDEY-YFHOEESVSA-N
MW221.27 g/mol
LogP3.79
Rot. Bonds5

About (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine

(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine (PubChem CID 166991754) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine
PubChem CID166991754
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine
SMILESC=C(C)/C=C(\NC(C)CCC)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-5-6-9(4)15-10(7-8(2)3)11(12,13)14/h7,9,15H,2,5-6H2,1,3-4H3/b10-7-
InChIKeyXWBFNCDBXKYDEY-YFHOEESVSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine (CID 166991754) is (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine is C=C(C)/C=C(\NC(C)CCC)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine?
The InChIKey is XWBFNCDBXKYDEY-YFHOEESVSA-N. The full InChI is InChI=1S/C11H18F3N/c1-5-6-9(4)15-10(7-8(2)3)11(12,13)14/h7,9,15H,2,5-6H2,1,3-4H3/b10-7-.
What are the key properties of (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine?
(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine is sourced from PubChem (CID 166991754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).