N,N'-bis(cyclohexylideneamino)pentanediamide

C17H28N4O2 — CID 4589806

IUPACN,N'-bis(cyclohexylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C17H28N4O2/c22-16(20-18-14-8-3-1-4-9-14)12-7-13-17(23)21-19-15-10-5-2-6-11-15/h1-13H2,(H,20,22)(H,21,23)
InChIKeyXZOILSHAMZKYCE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.03
Rot. Bonds6

About N,N'-bis(cyclohexylideneamino)pentanediamide

N,N'-bis(cyclohexylideneamino)pentanediamide (PubChem CID 4589806) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N'-bis(cyclohexylideneamino)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclohexylideneamino)pentanediamide
PubChem CID4589806
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN,N'-bis(cyclohexylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1
InChIInChI=1S/C17H28N4O2/c22-16(20-18-14-8-3-1-4-9-14)12-7-13-17(23)21-19-15-10-5-2-6-11-15/h1-13H2,(H,20,22)(H,21,23)
InChIKeyXZOILSHAMZKYCE-UHFFFAOYSA-N
XLogP3.03
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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(cyclohexylideneamino)pentanediamide?
The IUPAC name of N,N'-bis(cyclohexylideneamino)pentanediamide (CID 4589806) is N,N'-bis(cyclohexylideneamino)pentanediamide.
What is the SMILES notation for N,N'-bis(cyclohexylideneamino)pentanediamide?
The canonical SMILES for N,N'-bis(cyclohexylideneamino)pentanediamide is O=C(CCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1.
What is the InChIKey of N,N'-bis(cyclohexylideneamino)pentanediamide?
The InChIKey is XZOILSHAMZKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-16(20-18-14-8-3-1-4-9-14)12-7-13-17(23)21-19-15-10-5-2-6-11-15/h1-13H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(cyclohexylideneamino)pentanediamide?
N,N'-bis(cyclohexylideneamino)pentanediamide has a molecular weight of 320.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclohexylideneamino)pentanediamide is sourced from PubChem (CID 4589806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).