[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate

C18H24F3N3O — CID 134548030

IUPAC[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate
SMILESCCc1cccc(N(C)N)c1CO/C(C)=N/C=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C18H24F3N3O/c1-5-15-9-6-10-17(24(4)22)16(15)12-25-14(3)23-11-7-8-13(2)18(19,20)21/h6-11H,5,12,22H2,1-4H3/b11-7-,13-8+,23-14+
InChIKeyBZVPXTZSMOPOHO-VXDKQGNLSA-N
MW355.40 g/mol
LogP4.52
Rot. Bonds6

About [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate

[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate (PubChem CID 134548030) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate
PubChem CID134548030
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate
SMILESCCc1cccc(N(C)N)c1CO/C(C)=N/C=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C18H24F3N3O/c1-5-15-9-6-10-17(24(4)22)16(15)12-25-14(3)23-11-7-8-13(2)18(19,20)21/h6-11H,5,12,22H2,1-4H3/b11-7-,13-8+,23-14+
InChIKeyBZVPXTZSMOPOHO-VXDKQGNLSA-N
XLogP4.52
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate 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 [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate?
The IUPAC name of [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate (CID 134548030) is [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate.
What is the SMILES notation for [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate?
The canonical SMILES for [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate is CCc1cccc(N(C)N)c1CO/C(C)=N/C=C\C=C(/C)C(F)(F)F.
What is the InChIKey of [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate?
The InChIKey is BZVPXTZSMOPOHO-VXDKQGNLSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-5-15-9-6-10-17(24(4)22)16(15)12-25-14(3)23-11-7-8-13(2)18(19,20)21/h6-11H,5,12,22H2,1-4H3/b11-7-,13-8+,23-14+.
What are the key properties of [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate?
[2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate has a molecular weight of 355.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-ethylphenyl]methyl N-[(1Z,3E)-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]ethanimidate is sourced from PubChem (CID 134548030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).