(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine

C31H51FN2 — CID 130370887

IUPAC(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
SMILESC=C(CC1(CCNC)CCC(C)=C(/C=C\C(F)=C/C)C1)C(C)/C=C\C(CC(C)C)=C(/C)CNC
InChIInChI=1S/C31H51FN2/c1-10-30(32)14-13-29-21-31(17-18-33-8,16-15-25(29)5)20-26(6)24(4)11-12-28(19-23(2)3)27(7)22-34-9/h10-14,23-24,33-34H,6,15-22H2,1-5,7-9H3/b12-11-,14-13-,28-27-,30-10+
InChIKeyXVAMGKJVQPJQBM-DQGAFGFRSA-N
MW470.76 g/mol
LogP8.23
Rot. Bonds14

About (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine

(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine (PubChem CID 130370887) has the molecular formula C31H51FN2 and a molecular weight of 470.76 g/mol. Its IUPAC name is (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
PubChem CID130370887
Molecular FormulaC31H51FN2
Molecular Weight470.76 g/mol
Exact Mass470.40
IUPAC Name(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
SMILESC=C(CC1(CCNC)CCC(C)=C(/C=C\C(F)=C/C)C1)C(C)/C=C\C(CC(C)C)=C(/C)CNC
InChIInChI=1S/C31H51FN2/c1-10-30(32)14-13-29-21-31(17-18-33-8,16-15-25(29)5)20-26(6)24(4)11-12-28(19-23(2)3)27(7)22-34-9/h10-14,23-24,33-34H,6,15-22H2,1-5,7-9H3/b12-11-,14-13-,28-27-,30-10+
InChIKeyXVAMGKJVQPJQBM-DQGAFGFRSA-N
XLogP8.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.76
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-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 (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine?
The IUPAC name of (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine (CID 130370887) is (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine.
What is the SMILES notation for (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine?
The canonical SMILES for (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine is C=C(CC1(CCNC)CCC(C)=C(/C=C\C(F)=C/C)C1)C(C)/C=C\C(CC(C)C)=C(/C)CNC.
What is the InChIKey of (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine?
The InChIKey is XVAMGKJVQPJQBM-DQGAFGFRSA-N. The full InChI is InChI=1S/C31H51FN2/c1-10-30(32)14-13-29-21-31(17-18-33-8,16-15-25(29)5)20-26(6)24(4)11-12-28(19-23(2)3)27(7)22-34-9/h10-14,23-24,33-34H,6,15-22H2,1-5,7-9H3/b12-11-,14-13-,28-27-,30-10+.
What are the key properties of (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine?
(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine has a molecular weight of 470.76 g/mol, XLogP of 8.23, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine is sourced from PubChem (CID 130370887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).