(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine

C18H28F3N3O — CID 87152593

IUPAC(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine
SMILESCCNCCCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H28F3N3O/c1-2-23-13-6-4-3-5-7-17(24-25-14-12-22)15-8-10-16(11-9-15)18(19,20)21/h8-11,23H,2-7,12-14,22H2,1H3/b24-17+
InChIKeyQNTLTFWBBJNPRO-JJIBRWJFSA-N
MW359.44 g/mol
LogP3.94
Rot. Bonds12

About (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine

(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine (PubChem CID 87152593) has the molecular formula C18H28F3N3O and a molecular weight of 359.44 g/mol. Its IUPAC name is (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine.

Molecular Properties

Compound Name(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine
PubChem CID87152593
Molecular FormulaC18H28F3N3O
Molecular Weight359.44 g/mol
Exact Mass359.22
IUPAC Name(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine
SMILESCCNCCCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H28F3N3O/c1-2-23-13-6-4-3-5-7-17(24-25-14-12-22)15-8-10-16(11-9-15)18(19,20)21/h8-11,23H,2-7,12-14,22H2,1H3/b24-17+
InChIKeyQNTLTFWBBJNPRO-JJIBRWJFSA-N
XLogP3.94
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-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 (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine?
The IUPAC name of (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine (CID 87152593) is (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine.
What is the SMILES notation for (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine?
The canonical SMILES for (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine is CCNCCCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine?
The InChIKey is QNTLTFWBBJNPRO-JJIBRWJFSA-N. The full InChI is InChI=1S/C18H28F3N3O/c1-2-23-13-6-4-3-5-7-17(24-25-14-12-22)15-8-10-16(11-9-15)18(19,20)21/h8-11,23H,2-7,12-14,22H2,1H3/b24-17+.
What are the key properties of (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine?
(7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine has a molecular weight of 359.44 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-(2-aminoethoxyimino)-N-ethyl-7-[4-(trifluoromethyl)phenyl]heptan-1-amine is sourced from PubChem (CID 87152593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).