N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide

C19H28N4O2 — CID 54610046

IUPACN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/C1CC=CCC1)N/N=C\C1CC=CCC1
InChIInChI=1S/C19H28N4O2/c24-18(22-20-14-16-8-3-1-4-9-16)12-7-13-19(25)23-21-15-17-10-5-2-6-11-17/h1-3,5,14-17H,4,6-13H2,(H,22,24)(H,23,25)/b20-14-,21-15+
InChIKeyGLFGNHUMMQQQNN-TVGQLCNQSA-N
MW344.46 g/mol
LogP3.07
Rot. Bonds8

About N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide

N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide (PubChem CID 54610046) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide.

Molecular Properties

Compound NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide
PubChem CID54610046
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide
SMILESO=C(CCCC(=O)N/N=C/C1CC=CCC1)N/N=C\C1CC=CCC1
InChIInChI=1S/C19H28N4O2/c24-18(22-20-14-16-8-3-1-4-9-16)12-7-13-19(25)23-21-15-17-10-5-2-6-11-17/h1-3,5,14-17H,4,6-13H2,(H,22,24)(H,23,25)/b20-14-,21-15+
InChIKeyGLFGNHUMMQQQNN-TVGQLCNQSA-N
XLogP3.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide?
The IUPAC name of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide (CID 54610046) is N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide.
What is the SMILES notation for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide?
The canonical SMILES for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide is O=C(CCCC(=O)N/N=C/C1CC=CCC1)N/N=C\C1CC=CCC1.
What is the InChIKey of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide?
The InChIKey is GLFGNHUMMQQQNN-TVGQLCNQSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(22-20-14-16-8-3-1-4-9-16)12-7-13-19(25)23-21-15-17-10-5-2-6-11-17/h1-3,5,14-17H,4,6-13H2,(H,22,24)(H,23,25)/b20-14-,21-15+.
What are the key properties of N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide?
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide has a molecular weight of 344.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide is sourced from PubChem (CID 54610046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).