4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine

C17H20F6N2 — CID 123755567

IUPAC4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
SMILES[H]/N=C(C)\C=C/C(=C(\C=C)C(F)(F)F)C1CCC(NC)C=C1C(F)(F)F
InChIInChI=1S/C17H20F6N2/c1-4-14(16(18,19)20)12(7-5-10(2)24)13-8-6-11(25-3)9-15(13)17(21,22)23/h4-5,7,9,11,13,24-25H,1,6,8H2,2-3H3/b7-5-,14-12-,24-10-
InChIKeyAGZZFZJHSSYYSK-XOSYGFPDSA-N
MW366.35 g/mol
LogP5.11
Rot. Bonds5

About 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine

4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine (PubChem CID 123755567) has the molecular formula C17H20F6N2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
PubChem CID123755567
Molecular FormulaC17H20F6N2
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC Name4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
SMILES[H]/N=C(C)\C=C/C(=C(\C=C)C(F)(F)F)C1CCC(NC)C=C1C(F)(F)F
InChIInChI=1S/C17H20F6N2/c1-4-14(16(18,19)20)12(7-5-10(2)24)13-8-6-11(25-3)9-15(13)17(21,22)23/h4-5,7,9,11,13,24-25H,1,6,8H2,2-3H3/b7-5-,14-12-,24-10-
InChIKeyAGZZFZJHSSYYSK-XOSYGFPDSA-N
XLogP5.11
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-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 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The IUPAC name of 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine (CID 123755567) is 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine is [H]/N=C(C)\C=C/C(=C(\C=C)C(F)(F)F)C1CCC(NC)C=C1C(F)(F)F.
What is the InChIKey of 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
The InChIKey is AGZZFZJHSSYYSK-XOSYGFPDSA-N. The full InChI is InChI=1S/C17H20F6N2/c1-4-14(16(18,19)20)12(7-5-10(2)24)13-8-6-11(25-3)9-15(13)17(21,22)23/h4-5,7,9,11,13,24-25H,1,6,8H2,2-3H3/b7-5-,14-12-,24-10-.
What are the key properties of 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine?
4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine has a molecular weight of 366.35 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 123755567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).