N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide

C28H50N4O2 — CID 3363702

IUPACN,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)CC)CC2)CC1
InChIInChI=1S/C28H50N4O2/c1-7-27(3,4)21-13-17-23(18-14-21)29-31-25(33)11-9-10-12-26(34)32-30-24-19-15-22(16-20-24)28(5,6)8-2/h21-22H,7-20H2,1-6H3,(H,31,33)(H,32,34)/b29-23-,30-24-
InChIKeyFXBZRNOVQKHFMJ-HONQWNAWSA-N
MW474.73 g/mol
LogP6.74
Rot. Bonds11

About N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide

N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide (PubChem CID 3363702) has the molecular formula C28H50N4O2 and a molecular weight of 474.73 g/mol. Its IUPAC name is N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide
PubChem CID3363702
Molecular FormulaC28H50N4O2
Molecular Weight474.73 g/mol
Exact Mass474.39
IUPAC NameN,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)CC)CC2)CC1
InChIInChI=1S/C28H50N4O2/c1-7-27(3,4)21-13-17-23(18-14-21)29-31-25(33)11-9-10-12-26(34)32-30-24-19-15-22(16-20-24)28(5,6)8-2/h21-22H,7-20H2,1-6H3,(H,31,33)(H,32,34)/b29-23-,30-24-
InChIKeyFXBZRNOVQKHFMJ-HONQWNAWSA-N
XLogP6.74
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 56.74
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[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide 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[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide?
The IUPAC name of N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide (CID 3363702) is N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide.
What is the SMILES notation for N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide?
The canonical SMILES for N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide is CCC(C)(C)C1CCC(=NNC(=O)CCCCC(=O)NN=C2CCC(C(C)(C)CC)CC2)CC1.
What is the InChIKey of N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide?
The InChIKey is FXBZRNOVQKHFMJ-HONQWNAWSA-N. The full InChI is InChI=1S/C28H50N4O2/c1-7-27(3,4)21-13-17-23(18-14-21)29-31-25(33)11-9-10-12-26(34)32-30-24-19-15-22(16-20-24)28(5,6)8-2/h21-22H,7-20H2,1-6H3,(H,31,33)(H,32,34)/b29-23-,30-24-.
What are the key properties of N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide?
N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide has a molecular weight of 474.73 g/mol, XLogP of 6.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]hexanediamide is sourced from PubChem (CID 3363702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).