N',N'-dicyanodecanediamide

C12H18N4O2 — CID 53439470

IUPACN',N'-dicyanodecanediamide
SMILESN#CN(C#N)C(=O)CCCCCCCCC(N)=O
InChIInChI=1S/C12H18N4O2/c13-9-16(10-14)12(18)8-6-4-2-1-3-5-7-11(15)17/h1-8H2,(H2,15,17)
InChIKeyTYVJFVNRBQZVJJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds9

About N',N'-dicyanodecanediamide

N',N'-dicyanodecanediamide (PubChem CID 53439470) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N',N'-dicyanodecanediamide.

Molecular Properties

Compound NameN',N'-dicyanodecanediamide
PubChem CID53439470
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN',N'-dicyanodecanediamide
SMILESN#CN(C#N)C(=O)CCCCCCCCC(N)=O
InChIInChI=1S/C12H18N4O2/c13-9-16(10-14)12(18)8-6-4-2-1-3-5-7-11(15)17/h1-8H2,(H2,15,17)
InChIKeyTYVJFVNRBQZVJJ-UHFFFAOYSA-N
XLogP1.38
TPSA110.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N',N'-dicyanodecanediamide 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

docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
10-cyanodecanamide
CID 87916786
copper;tridecanediamide
CID 159780260
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
34-amino-34-oxotetratriacontanoic acid
CID 139682719
6-hydroxyhexanamide
CID 11815390
24-amino-24-oxotetracosanoic acid
CID 139682769
16-aminohexadecanamide
CID 86033165

Frequently Asked Questions

What is the IUPAC name of N',N'-dicyanodecanediamide?
The IUPAC name of N',N'-dicyanodecanediamide (CID 53439470) is N',N'-dicyanodecanediamide.
What is the SMILES notation for N',N'-dicyanodecanediamide?
The canonical SMILES for N',N'-dicyanodecanediamide is N#CN(C#N)C(=O)CCCCCCCCC(N)=O.
What is the InChIKey of N',N'-dicyanodecanediamide?
The InChIKey is TYVJFVNRBQZVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-9-16(10-14)12(18)8-6-4-2-1-3-5-7-11(15)17/h1-8H2,(H2,15,17).
What are the key properties of N',N'-dicyanodecanediamide?
N',N'-dicyanodecanediamide has a molecular weight of 250.30 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dicyanodecanediamide is sourced from PubChem (CID 53439470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).