N,N'-bis(1-cyanoprop-2-enyl)hexanediamide

C14H18N4O2 — CID 88642672

IUPACN,N'-bis(1-cyanoprop-2-enyl)hexanediamide
SMILESC=CC(C#N)NC(=O)CCCCC(=O)NC(C#N)C=C
InChIInChI=1S/C14H18N4O2/c1-3-11(9-15)17-13(19)7-5-6-8-14(20)18-12(4-2)10-16/h3-4,11-12H,1-2,5-8H2,(H,17,19)(H,18,20)
InChIKeyWLDQWUXXMOSADI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.94
Rot. Bonds9

About N,N'-bis(1-cyanoprop-2-enyl)hexanediamide

N,N'-bis(1-cyanoprop-2-enyl)hexanediamide (PubChem CID 88642672) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N'-bis(1-cyanoprop-2-enyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(1-cyanoprop-2-enyl)hexanediamide
PubChem CID88642672
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,N'-bis(1-cyanoprop-2-enyl)hexanediamide
SMILESC=CC(C#N)NC(=O)CCCCC(=O)NC(C#N)C=C
InChIInChI=1S/C14H18N4O2/c1-3-11(9-15)17-13(19)7-5-6-8-14(20)18-12(4-2)10-16/h3-4,11-12H,1-2,5-8H2,(H,17,19)(H,18,20)
InChIKeyWLDQWUXXMOSADI-UHFFFAOYSA-N
XLogP0.94
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N'-bis(1-cyanoprop-2-enyl)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-(1-cyanopropyl)heptanamide
CID 115605228
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
N-(1-cyanoethyl)butanamide
CID 61120062
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
7-imino-6-oxoheptanenitrile
CID 57035473
N-(1-cyanobutyl)-4-methoxybutanamide
CID 78917905
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
N-(4-cyanohexa-3,5-dien-2-yl)butanamide
CID 123403650

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-cyanoprop-2-enyl)hexanediamide?
The IUPAC name of N,N'-bis(1-cyanoprop-2-enyl)hexanediamide (CID 88642672) is N,N'-bis(1-cyanoprop-2-enyl)hexanediamide.
What is the SMILES notation for N,N'-bis(1-cyanoprop-2-enyl)hexanediamide?
The canonical SMILES for N,N'-bis(1-cyanoprop-2-enyl)hexanediamide is C=CC(C#N)NC(=O)CCCCC(=O)NC(C#N)C=C.
What is the InChIKey of N,N'-bis(1-cyanoprop-2-enyl)hexanediamide?
The InChIKey is WLDQWUXXMOSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-11(9-15)17-13(19)7-5-6-8-14(20)18-12(4-2)10-16/h3-4,11-12H,1-2,5-8H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(1-cyanoprop-2-enyl)hexanediamide?
N,N'-bis(1-cyanoprop-2-enyl)hexanediamide has a molecular weight of 274.32 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-cyanoprop-2-enyl)hexanediamide is sourced from PubChem (CID 88642672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).