N,N'-bis(butylideneamino)octanediamide

C16H30N4O2 — CID 5050764

IUPACN,N'-bis(butylideneamino)octanediamide
SMILESCCCC=NNC(=O)CCCCCCC(=O)NN=CCCC
InChIInChI=1S/C16H30N4O2/c1-3-5-13-17-19-15(21)11-9-7-8-10-12-16(22)20-18-14-6-4-2/h13-14H,3-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFVMOOLHKZFRZHZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.13
Rot. Bonds13

About N,N'-bis(butylideneamino)octanediamide

N,N'-bis(butylideneamino)octanediamide (PubChem CID 5050764) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N'-bis(butylideneamino)octanediamide.

Molecular Properties

Compound NameN,N'-bis(butylideneamino)octanediamide
PubChem CID5050764
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN,N'-bis(butylideneamino)octanediamide
SMILESCCCC=NNC(=O)CCCCCCC(=O)NN=CCCC
InChIInChI=1S/C16H30N4O2/c1-3-5-13-17-19-15(21)11-9-7-8-10-12-16(22)20-18-14-6-4-2/h13-14H,3-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFVMOOLHKZFRZHZ-UHFFFAOYSA-N
XLogP3.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.13
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(butylideneamino)octanediamide 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,N'-bis(butylideneamino)heptanediamide
CID 4260370
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N-[2-[2-(dodecanoylhydrazinylidene)ethoxy]ethylideneamino]dodecanamide;hydrochloride
CID 139847717
N-[(Z)-butylideneamino]acetamide
CID 6015140
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N-(but-2-enylideneamino)octanamide
CID 5180348
N-(2-phenylethylideneamino)nonanamide
CID 3280851
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(butylideneamino)octanediamide?
The IUPAC name of N,N'-bis(butylideneamino)octanediamide (CID 5050764) is N,N'-bis(butylideneamino)octanediamide.
What is the SMILES notation for N,N'-bis(butylideneamino)octanediamide?
The canonical SMILES for N,N'-bis(butylideneamino)octanediamide is CCCC=NNC(=O)CCCCCCC(=O)NN=CCCC.
What is the InChIKey of N,N'-bis(butylideneamino)octanediamide?
The InChIKey is FVMOOLHKZFRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-5-13-17-19-15(21)11-9-7-8-10-12-16(22)20-18-14-6-4-2/h13-14H,3-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-bis(butylideneamino)octanediamide?
N,N'-bis(butylideneamino)octanediamide has a molecular weight of 310.44 g/mol, XLogP of 3.13, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(butylideneamino)octanediamide is sourced from PubChem (CID 5050764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).