bis(2,6-diethylphenyl)cyanamide

C21H26N2 — CID 16549

IUPACbis(2,6-diethylphenyl)cyanamide
SMILESCCc1cccc(CC)c1N(C#N)c1c(CC)cccc1CC
InChIInChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)23(15-22)21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
InChIKeyOOKXSBASCXTVFX-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.56
Rot. Bonds6

About bis(2,6-diethylphenyl)cyanamide

bis(2,6-diethylphenyl)cyanamide (PubChem CID 16549) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is bis(2,6-diethylphenyl)cyanamide.

Molecular Properties

Compound Namebis(2,6-diethylphenyl)cyanamide
PubChem CID16549
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Namebis(2,6-diethylphenyl)cyanamide
SMILESCCc1cccc(CC)c1N(C#N)c1c(CC)cccc1CC
InChIInChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)23(15-22)21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
InChIKeyOOKXSBASCXTVFX-UHFFFAOYSA-N
XLogP5.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2,6-diethylphenyl)cyanamide 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

Imipramine
CID 3696
Imipramine Hydrochloride
CID 8228
Trimipramine
CID 5584
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Depramine
CID 67534
N,N,N',N'-Tetramethylbenzidine
CID 9702
Michler's ethylene
CID 81995
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
Trimipramine hydrochloride
CID 107128
N,N,2,6-Tetramethylaniline
CID 69853
1,4-Bis(2,6-dimethylphenyl)piperazine
CID 1247098
Dimesitylamine
CID 11191273

Frequently Asked Questions

What is the IUPAC name of bis(2,6-diethylphenyl)cyanamide?
The IUPAC name of bis(2,6-diethylphenyl)cyanamide (CID 16549) is bis(2,6-diethylphenyl)cyanamide.
What is the SMILES notation for bis(2,6-diethylphenyl)cyanamide?
The canonical SMILES for bis(2,6-diethylphenyl)cyanamide is CCc1cccc(CC)c1N(C#N)c1c(CC)cccc1CC.
What is the InChIKey of bis(2,6-diethylphenyl)cyanamide?
The InChIKey is OOKXSBASCXTVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)23(15-22)21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of bis(2,6-diethylphenyl)cyanamide?
bis(2,6-diethylphenyl)cyanamide has a molecular weight of 306.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-diethylphenyl)cyanamide is sourced from PubChem (CID 16549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).