N,N'-bis(but-2-enylideneamino)hexanediamide

C14H22N4O2 — CID 4148126

IUPACN,N'-bis(but-2-enylideneamino)hexanediamide
SMILESCC=CC=NNC(=O)CCCCC(=O)NN=CC=CC
InChIInChI=1S/C14H22N4O2/c1-3-5-11-15-17-13(19)9-7-8-10-14(20)18-16-12-6-4-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWMKFKJDCQMLEMR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.90
Rot. Bonds9

About N,N'-bis(but-2-enylideneamino)hexanediamide

N,N'-bis(but-2-enylideneamino)hexanediamide (PubChem CID 4148126) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,N'-bis(but-2-enylideneamino)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(but-2-enylideneamino)hexanediamide
PubChem CID4148126
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,N'-bis(but-2-enylideneamino)hexanediamide
SMILESCC=CC=NNC(=O)CCCCC(=O)NN=CC=CC
InChIInChI=1S/C14H22N4O2/c1-3-5-11-15-17-13(19)9-7-8-10-14(20)18-16-12-6-4-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWMKFKJDCQMLEMR-UHFFFAOYSA-N
XLogP1.90
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.90
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(but-2-enylideneamino)hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(but-2-enylideneamino)octanamide
CID 5180348
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
N-(nonylideneamino)decanamide
CID 5084396
acetaldehyde;N-[(E)-ethylideneamino]-6-hydrazinyl-6-oxohexanamide;hexanedihydrazide;phosphane
CID 172937135
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)octanamide
CID 4295690
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(but-2-enylideneamino)hexanediamide?
The IUPAC name of N,N'-bis(but-2-enylideneamino)hexanediamide (CID 4148126) is N,N'-bis(but-2-enylideneamino)hexanediamide.
What is the SMILES notation for N,N'-bis(but-2-enylideneamino)hexanediamide?
The canonical SMILES for N,N'-bis(but-2-enylideneamino)hexanediamide is CC=CC=NNC(=O)CCCCC(=O)NN=CC=CC.
What is the InChIKey of N,N'-bis(but-2-enylideneamino)hexanediamide?
The InChIKey is WMKFKJDCQMLEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-5-11-15-17-13(19)9-7-8-10-14(20)18-16-12-6-4-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(but-2-enylideneamino)hexanediamide?
N,N'-bis(but-2-enylideneamino)hexanediamide has a molecular weight of 278.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(but-2-enylideneamino)hexanediamide is sourced from PubChem (CID 4148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).