diethylcyanamide

C5H10N2 — CID 12050

IUPACdiethylcyanamide
SMILESCCN(C#N)CC
InChIInChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
InChIKeyZZTSQZQUWBFTAT-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.81
Rot. Bonds2

About diethylcyanamide

diethylcyanamide (PubChem CID 12050) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is diethylcyanamide.

Molecular Properties

Compound Namediethylcyanamide
PubChem CID12050
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namediethylcyanamide
SMILESCCN(C#N)CC
InChIInChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3
InChIKeyZZTSQZQUWBFTAT-UHFFFAOYSA-N
XLogP0.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.81
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'}

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Related Compounds

Triethylamine
CID 8471
2-(Diethylamino)acetonitrile
CID 44983
Dimethylaminoacetonitrile
CID 61237
Diethylmethylamine
CID 12022
Diisopropylcyanamide
CID 76520
Tetraethylammonium cyanide
CID 3014735
Ammonium, (cyanomethyl)diethylmethyl-, iodide
CID 18162
Triethyl-d15-amine
CID 16212933
Acetonitrile, (methylimino)di-
CID 138496
Acetonitrile, 2,2'-(ethylimino)bis-
CID 23423713
N-ethyl-N-ethylethanamine
CID 20778771
Cyanodipropylamine
CID 12683494

Frequently Asked Questions

What is the IUPAC name of diethylcyanamide?
The IUPAC name of diethylcyanamide (CID 12050) is diethylcyanamide.
What is the SMILES notation for diethylcyanamide?
The canonical SMILES for diethylcyanamide is CCN(C#N)CC.
What is the InChIKey of diethylcyanamide?
The InChIKey is ZZTSQZQUWBFTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3.
What are the key properties of diethylcyanamide?
diethylcyanamide has a molecular weight of 98.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcyanamide is sourced from PubChem (CID 12050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).