N,N'-bis(cyclohexylideneamino)decanediamide

C22H38N4O2 — CID 4677829

IUPACN,N'-bis(cyclohexylideneamino)decanediamide
SMILESO=C(CCCCCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C22H38N4O2/c27-21(25-23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(28)26-24-20-15-9-6-10-16-20/h1-18H2,(H,25,27)(H,26,28)
InChIKeyCFXDDNPFJKMKKA-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.98
Rot. Bonds11

About N,N'-bis(cyclohexylideneamino)decanediamide

N,N'-bis(cyclohexylideneamino)decanediamide (PubChem CID 4677829) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N,N'-bis(cyclohexylideneamino)decanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohexylideneamino)decanediamide
PubChem CID4677829
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN,N'-bis(cyclohexylideneamino)decanediamide
SMILESO=C(CCCCCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C22H38N4O2/c27-21(25-23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(28)26-24-20-15-9-6-10-16-20/h1-18H2,(H,25,27)(H,26,28)
InChIKeyCFXDDNPFJKMKKA-UHFFFAOYSA-N
XLogP4.98
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.98
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis(cyclohexylideneamino)decanediamide 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 N,N'-bis(cyclohexylideneamino)decanediamide?
The IUPAC name of N,N'-bis(cyclohexylideneamino)decanediamide (CID 4677829) is N,N'-bis(cyclohexylideneamino)decanediamide.
What is the SMILES notation for N,N'-bis(cyclohexylideneamino)decanediamide?
The canonical SMILES for N,N'-bis(cyclohexylideneamino)decanediamide is O=C(CCCCCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1.
What is the InChIKey of N,N'-bis(cyclohexylideneamino)decanediamide?
The InChIKey is CFXDDNPFJKMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c27-21(25-23-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(28)26-24-20-15-9-6-10-16-20/h1-18H2,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(cyclohexylideneamino)decanediamide?
N,N'-bis(cyclohexylideneamino)decanediamide has a molecular weight of 390.57 g/mol, XLogP of 4.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohexylideneamino)decanediamide is sourced from PubChem (CID 4677829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).