N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide

C24H38N4O2 — CID 5339736

IUPACN,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/C1CC=CCC1)N/N=C/C1CC=CCC1
InChIInChI=1S/C24H38N4O2/c29-23(27-25-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(30)28-26-20-22-15-9-6-10-16-22/h5-7,9,19-22H,1-4,8,10-18H2,(H,27,29)(H,28,30)/b25-19+,26-20+
InChIKeyAKOLADHBFGEFPE-FQHZWJPGSA-N
MW414.59 g/mol
LogP5.02
Rot. Bonds13

About N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide

N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide (PubChem CID 5339736) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide
PubChem CID5339736
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/C1CC=CCC1)N/N=C/C1CC=CCC1
InChIInChI=1S/C24H38N4O2/c29-23(27-25-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(30)28-26-20-22-15-9-6-10-16-22/h5-7,9,19-22H,1-4,8,10-18H2,(H,27,29)(H,28,30)/b25-19+,26-20+
InChIKeyAKOLADHBFGEFPE-FQHZWJPGSA-N
XLogP5.02
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide?
The IUPAC name of N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide (CID 5339736) is N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide.
What is the SMILES notation for N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide?
The canonical SMILES for N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide is O=C(CCCCCCCCC(=O)N/N=C/C1CC=CCC1)N/N=C/C1CC=CCC1.
What is the InChIKey of N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide?
The InChIKey is AKOLADHBFGEFPE-FQHZWJPGSA-N. The full InChI is InChI=1S/C24H38N4O2/c29-23(27-25-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(30)28-26-20-22-15-9-6-10-16-22/h5-7,9,19-22H,1-4,8,10-18H2,(H,27,29)(H,28,30)/b25-19+,26-20+.
What are the key properties of N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide?
N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide has a molecular weight of 414.59 g/mol, XLogP of 5.02, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-cyclohex-3-en-1-ylmethylideneamino]decanediamide is sourced from PubChem (CID 5339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).