N,N'-bis(cyclopentylideneamino)hexanediamide

C16H26N4O2 — CID 5071973

IUPACN,N'-bis(cyclopentylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCCC1)NN=C1CCCC1
InChIInChI=1S/C16H26N4O2/c21-15(19-17-13-7-1-2-8-13)11-5-6-12-16(22)20-18-14-9-3-4-10-14/h1-12H2,(H,19,21)(H,20,22)
InChIKeySPPALCNODCXHLZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.64
Rot. Bonds7

About N,N'-bis(cyclopentylideneamino)hexanediamide

N,N'-bis(cyclopentylideneamino)hexanediamide (PubChem CID 5071973) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N'-bis(cyclopentylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(cyclopentylideneamino)hexanediamide
PubChem CID5071973
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN,N'-bis(cyclopentylideneamino)hexanediamide
SMILESO=C(CCCCC(=O)NN=C1CCCC1)NN=C1CCCC1
InChIInChI=1S/C16H26N4O2/c21-15(19-17-13-7-1-2-8-13)11-5-6-12-16(22)20-18-14-9-3-4-10-14/h1-12H2,(H,19,21)(H,20,22)
InChIKeySPPALCNODCXHLZ-UHFFFAOYSA-N
XLogP2.64
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.64
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(cyclopentylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(cyclopentylideneamino)hexanediamide (CID 5071973) is N,N'-bis(cyclopentylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(cyclopentylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(cyclopentylideneamino)hexanediamide is O=C(CCCCC(=O)NN=C1CCCC1)NN=C1CCCC1.
What is the InChIKey of N,N'-bis(cyclopentylideneamino)hexanediamide?
The InChIKey is SPPALCNODCXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-15(19-17-13-7-1-2-8-13)11-5-6-12-16(22)20-18-14-9-3-4-10-14/h1-12H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(cyclopentylideneamino)hexanediamide?
N,N'-bis(cyclopentylideneamino)hexanediamide has a molecular weight of 306.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclopentylideneamino)hexanediamide is sourced from PubChem (CID 5071973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).