(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine

C19H27F3N2O — CID 162572553

IUPAC(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine
SMILESC=C/C=C(\C)N(CCOCC)C(=C)C(=C)/C=C\C(=C)NCC(F)(F)F
InChIInChI=1S/C19H27F3N2O/c1-7-9-17(5)24(12-13-25-8-2)18(6)15(3)10-11-16(4)23-14-19(20,21)22/h7,9-11,23H,1,3-4,6,8,12-14H2,2,5H3/b11-10-,17-9+
InChIKeyBCRZNWHVHCFTKS-WZPXUMEWSA-N
MW356.43 g/mol
LogP4.71
Rot. Bonds12

About (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine

(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine (PubChem CID 162572553) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine.

Molecular Properties

Compound Name(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine
PubChem CID162572553
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine
SMILESC=C/C=C(\C)N(CCOCC)C(=C)C(=C)/C=C\C(=C)NCC(F)(F)F
InChIInChI=1S/C19H27F3N2O/c1-7-9-17(5)24(12-13-25-8-2)18(6)15(3)10-11-16(4)23-14-19(20,21)22/h7,9-11,23H,1,3-4,6,8,12-14H2,2,5H3/b11-10-,17-9+
InChIKeyBCRZNWHVHCFTKS-WZPXUMEWSA-N
XLogP4.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine 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 (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine?
The IUPAC name of (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine (CID 162572553) is (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine.
What is the SMILES notation for (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine?
The canonical SMILES for (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine is C=C/C=C(\C)N(CCOCC)C(=C)C(=C)/C=C\C(=C)NCC(F)(F)F.
What is the InChIKey of (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine?
The InChIKey is BCRZNWHVHCFTKS-WZPXUMEWSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-7-9-17(5)24(12-13-25-8-2)18(6)15(3)10-11-16(4)23-14-19(20,21)22/h7,9-11,23H,1,3-4,6,8,12-14H2,2,5H3/b11-10-,17-9+.
What are the key properties of (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine?
(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine is sourced from PubChem (CID 162572553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).