(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine

C25H44N4 — CID 122628374

IUPAC(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine
SMILESC=C/C=C(\C/C=C\C=C(/C/C=C\C=C(/C(C)N)N(C)CC)N(C)CC)N(C)CC
InChIInChI=1S/C25H44N4/c1-9-17-23(27(6)10-2)18-13-14-19-24(28(7)11-3)20-15-16-21-25(22(5)26)29(8)12-4/h9,13-17,19,21-22H,1,10-12,18,20,26H2,2-8H3/b14-13-,16-15-,23-17+,24-19+,25-21+
InChIKeyUCJWJSHULVXUOW-YUGCOHDSSA-N
MW400.66 g/mol
LogP4.92
Rot. Bonds14

About (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine

(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine (PubChem CID 122628374) has the molecular formula C25H44N4 and a molecular weight of 400.66 g/mol. Its IUPAC name is (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine.

Molecular Properties

Compound Name(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine
PubChem CID122628374
Molecular FormulaC25H44N4
Molecular Weight400.66 g/mol
Exact Mass400.36
IUPAC Name(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine
SMILESC=C/C=C(\C/C=C\C=C(/C/C=C\C=C(/C(C)N)N(C)CC)N(C)CC)N(C)CC
InChIInChI=1S/C25H44N4/c1-9-17-23(27(6)10-2)18-13-14-19-24(28(7)11-3)20-15-16-21-25(22(5)26)29(8)12-4/h9,13-17,19,21-22H,1,10-12,18,20,26H2,2-8H3/b14-13-,16-15-,23-17+,24-19+,25-21+
InChIKeyUCJWJSHULVXUOW-YUGCOHDSSA-N
XLogP4.92
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.66
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine?
The IUPAC name of (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine (CID 122628374) is (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine.
What is the SMILES notation for (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine?
The canonical SMILES for (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine is C=C/C=C(\C/C=C\C=C(/C/C=C\C=C(/C(C)N)N(C)CC)N(C)CC)N(C)CC.
What is the InChIKey of (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine?
The InChIKey is UCJWJSHULVXUOW-YUGCOHDSSA-N. The full InChI is InChI=1S/C25H44N4/c1-9-17-23(27(6)10-2)18-13-14-19-24(28(7)11-3)20-15-16-21-25(22(5)26)29(8)12-4/h9,13-17,19,21-22H,1,10-12,18,20,26H2,2-8H3/b14-13-,16-15-,23-17+,24-19+,25-21+.
What are the key properties of (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine?
(3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine has a molecular weight of 400.66 g/mol, XLogP of 4.92, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8E,10Z,13E)-3-N,8-N,13-N-triethyl-3-N,8-N,13-N-trimethylhexadeca-3,5,8,10,13,15-hexaene-2,3,8,13-tetramine is sourced from PubChem (CID 122628374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).