(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine

C7H10F3N — CID 126710477

IUPAC(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
SMILESC=C(/C=C/C(F)(F)F)CNC
InChIInChI=1S/C7H10F3N/c1-6(5-11-2)3-4-7(8,9)10/h3-4,11H,1,5H2,2H3/b4-3+
InChIKeyUPSWWBPILUSZTP-ONEGZZNKSA-N
MW165.16 g/mol
LogP1.88
Rot. Bonds3

About (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine

(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine (PubChem CID 126710477) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
PubChem CID126710477
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
SMILESC=C(/C=C/C(F)(F)F)CNC
InChIInChI=1S/C7H10F3N/c1-6(5-11-2)3-4-7(8,9)10/h3-4,11H,1,5H2,2H3/b4-3+
InChIKeyUPSWWBPILUSZTP-ONEGZZNKSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine?
The IUPAC name of (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine (CID 126710477) is (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine?
The canonical SMILES for (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine is C=C(/C=C/C(F)(F)F)CNC.
What is the InChIKey of (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine?
The InChIKey is UPSWWBPILUSZTP-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H10F3N/c1-6(5-11-2)3-4-7(8,9)10/h3-4,11H,1,5H2,2H3/b4-3+.
What are the key properties of (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine?
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine has a molecular weight of 165.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 126710477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).