N,N'-bis(butylideneamino)heptanediamide

C15H28N4O2 — CID 4260370

IUPACN,N'-bis(butylideneamino)heptanediamide
SMILESCCCC=NNC(=O)CCCCCC(=O)NN=CCCC
InChIInChI=1S/C15H28N4O2/c1-3-5-12-16-18-14(20)10-8-7-9-11-15(21)19-17-13-6-4-2/h12-13H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPMNNJLXSKKPYPZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.74
Rot. Bonds12

About N,N'-bis(butylideneamino)heptanediamide

N,N'-bis(butylideneamino)heptanediamide (PubChem CID 4260370) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N,N'-bis(butylideneamino)heptanediamide.

Molecular Properties

Compound NameN,N'-bis(butylideneamino)heptanediamide
PubChem CID4260370
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN,N'-bis(butylideneamino)heptanediamide
SMILESCCCC=NNC(=O)CCCCCC(=O)NN=CCCC
InChIInChI=1S/C15H28N4O2/c1-3-5-12-16-18-14(20)10-8-7-9-11-15(21)19-17-13-6-4-2/h12-13H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPMNNJLXSKKPYPZ-UHFFFAOYSA-N
XLogP2.74
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.74
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'}

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Related Compounds

N,N'-bis(butylideneamino)octanediamide
CID 5050764
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)heptanediamide?
The IUPAC name of N,N'-bis(butylideneamino)heptanediamide (CID 4260370) is N,N'-bis(butylideneamino)heptanediamide.
What is the SMILES notation for N,N'-bis(butylideneamino)heptanediamide?
The canonical SMILES for N,N'-bis(butylideneamino)heptanediamide is CCCC=NNC(=O)CCCCCC(=O)NN=CCCC.
What is the InChIKey of N,N'-bis(butylideneamino)heptanediamide?
The InChIKey is PMNNJLXSKKPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-5-12-16-18-14(20)10-8-7-9-11-15(21)19-17-13-6-4-2/h12-13H,3-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis(butylideneamino)heptanediamide?
N,N'-bis(butylideneamino)heptanediamide has a molecular weight of 296.41 g/mol, XLogP of 2.74, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(butylideneamino)heptanediamide is sourced from PubChem (CID 4260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).