(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine

C14H23F3N2O — CID 134288594

IUPAC(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine
SMILESC/C(=C\C=C(/N)OCC(F)(F)F)CCCN1CCCC1
InChIInChI=1S/C14H23F3N2O/c1-12(5-4-10-19-8-2-3-9-19)6-7-13(18)20-11-14(15,16)17/h6-7H,2-5,8-11,18H2,1H3/b12-6+,13-7+
InChIKeyXZDWWQIJEPBNFJ-PWHKKFIBSA-N
MW292.35 g/mol
LogP3.19
Rot. Bonds7

About (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine

(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine (PubChem CID 134288594) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine
PubChem CID134288594
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine
SMILESC/C(=C\C=C(/N)OCC(F)(F)F)CCCN1CCCC1
InChIInChI=1S/C14H23F3N2O/c1-12(5-4-10-19-8-2-3-9-19)6-7-13(18)20-11-14(15,16)17/h6-7H,2-5,8-11,18H2,1H3/b12-6+,13-7+
InChIKeyXZDWWQIJEPBNFJ-PWHKKFIBSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-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

Related Compounds

1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine
CID 134288437
(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine
CID 134288485

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine (CID 134288594) is (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine is C/C(=C\C=C(/N)OCC(F)(F)F)CCCN1CCCC1.
What is the InChIKey of (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine?
The InChIKey is XZDWWQIJEPBNFJ-PWHKKFIBSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-12(5-4-10-19-8-2-3-9-19)6-7-13(18)20-11-14(15,16)17/h6-7H,2-5,8-11,18H2,1H3/b12-6+,13-7+.
What are the key properties of (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine?
(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine has a molecular weight of 292.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine is sourced from PubChem (CID 134288594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).