(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

C14H26N4O — CID 89121450

IUPAC(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C(\C=C/N)N1CCN(C)CC1)NCCOC
InChIInChI=1S/C14H26N4O/c1-13(16-6-11-19-3)12-14(4-5-15)18-9-7-17(2)8-10-18/h4-5,12,16H,1,6-11,15H2,2-3H3/b5-4-,14-12+
InChIKeyPLCOHWAWVWANAO-NPKGFUJDSA-N
MW266.39 g/mol
LogP0.34
Rot. Bonds7

About (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine

(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 89121450) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID89121450
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C(\C=C/N)N1CCN(C)CC1)NCCOC
InChIInChI=1S/C14H26N4O/c1-13(16-6-11-19-3)12-14(4-5-15)18-9-7-17(2)8-10-18/h4-5,12,16H,1,6-11,15H2,2-3H3/b5-4-,14-12+
InChIKeyPLCOHWAWVWANAO-NPKGFUJDSA-N
XLogP0.34
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine (CID 89121450) is (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is C=C(/C=C(\C=C/N)N1CCN(C)CC1)NCCOC.
What is the InChIKey of (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is PLCOHWAWVWANAO-NPKGFUJDSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(16-6-11-19-3)12-14(4-5-15)18-9-7-17(2)8-10-18/h4-5,12,16H,1,6-11,15H2,2-3H3/b5-4-,14-12+.
What are the key properties of (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine?
(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89121450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).