ethyl N-(dimethylaminomethylideneamino)carbamate

C6H13N3O2 — CID 54558834

IUPACethyl N-(dimethylaminomethylideneamino)carbamate
SMILESCCOC(=O)NN=CN(C)C
InChIInChI=1S/C6H13N3O2/c1-4-11-6(10)8-7-5-9(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyZPBXXAOTVUNYOA-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.24
Rot. Bonds3

About ethyl N-(dimethylaminomethylideneamino)carbamate

ethyl N-(dimethylaminomethylideneamino)carbamate (PubChem CID 54558834) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl N-(dimethylaminomethylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(dimethylaminomethylideneamino)carbamate
PubChem CID54558834
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Nameethyl N-(dimethylaminomethylideneamino)carbamate
SMILESCCOC(=O)NN=CN(C)C
InChIInChI=1S/C6H13N3O2/c1-4-11-6(10)8-7-5-9(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyZPBXXAOTVUNYOA-UHFFFAOYSA-N
XLogP0.24
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-(dimethylaminomethylideneamino)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(dimethylaminomethylideneamino)carbamate?
The IUPAC name of ethyl N-(dimethylaminomethylideneamino)carbamate (CID 54558834) is ethyl N-(dimethylaminomethylideneamino)carbamate.
What is the SMILES notation for ethyl N-(dimethylaminomethylideneamino)carbamate?
The canonical SMILES for ethyl N-(dimethylaminomethylideneamino)carbamate is CCOC(=O)NN=CN(C)C.
What is the InChIKey of ethyl N-(dimethylaminomethylideneamino)carbamate?
The InChIKey is ZPBXXAOTVUNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4-11-6(10)8-7-5-9(2)3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of ethyl N-(dimethylaminomethylideneamino)carbamate?
ethyl N-(dimethylaminomethylideneamino)carbamate has a molecular weight of 159.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(dimethylaminomethylideneamino)carbamate is sourced from PubChem (CID 54558834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).