1-ethoxyethylcyanamide

C5H10N2O — CID 55286094

IUPAC1-ethoxyethylcyanamide
SMILESCCOC(C)NC#N
InChIInChI=1S/C5H10N2O/c1-3-8-5(2)7-4-6/h5,7H,3H2,1-2H3
InChIKeyZJEQGHGASIUJGI-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.44
Rot. Bonds3

About 1-ethoxyethylcyanamide

1-ethoxyethylcyanamide (PubChem CID 55286094) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-ethoxyethylcyanamide.

Molecular Properties

Compound Name1-ethoxyethylcyanamide
PubChem CID55286094
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-ethoxyethylcyanamide
SMILESCCOC(C)NC#N
InChIInChI=1S/C5H10N2O/c1-3-8-5(2)7-4-6/h5,7H,3H2,1-2H3
InChIKeyZJEQGHGASIUJGI-UHFFFAOYSA-N
XLogP0.44
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-methylethanamine
CID 57089902
1-(1-ethoxyethylamino)ethanol
CID 18004306
3-ethoxy-2-methylbutanenitrile
CID 14922695
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
1-ethoxyethanol;N-methylmethanamine
CID 18941772
1,1-diethoxyethane
CID 7765
CID 159597367
CID 159597367
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
2-(1-ethoxyethylsulfanyl)acetonitrile
CID 15697610
(2S)-5,5-diethoxy-2-propan-2-ylpentanenitrile
CID 95562319
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
strontium;1-ethoxyethanol;hydride
CID 174472576

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethylcyanamide?
The IUPAC name of 1-ethoxyethylcyanamide (CID 55286094) is 1-ethoxyethylcyanamide.
What is the SMILES notation for 1-ethoxyethylcyanamide?
The canonical SMILES for 1-ethoxyethylcyanamide is CCOC(C)NC#N.
What is the InChIKey of 1-ethoxyethylcyanamide?
The InChIKey is ZJEQGHGASIUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-8-5(2)7-4-6/h5,7H,3H2,1-2H3.
What are the key properties of 1-ethoxyethylcyanamide?
1-ethoxyethylcyanamide has a molecular weight of 114.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethylcyanamide is sourced from PubChem (CID 55286094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).