[amino(ethoxy)amino]-methoxymethanol

C4H12N2O3 — CID 154495239

IUPAC[amino(ethoxy)amino]-methoxymethanol
SMILESCCON(N)C(O)OC
InChIInChI=1S/C4H12N2O3/c1-3-9-6(5)4(7)8-2/h4,7H,3,5H2,1-2H3
InChIKeyBZZQEJXKEIYOPE-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.96
Rot. Bonds4

About [amino(ethoxy)amino]-methoxymethanol

[amino(ethoxy)amino]-methoxymethanol (PubChem CID 154495239) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is [amino(ethoxy)amino]-methoxymethanol.

Molecular Properties

Compound Name[amino(ethoxy)amino]-methoxymethanol
PubChem CID154495239
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name[amino(ethoxy)amino]-methoxymethanol
SMILESCCON(N)C(O)OC
InChIInChI=1S/C4H12N2O3/c1-3-9-6(5)4(7)8-2/h4,7H,3,5H2,1-2H3
InChIKeyBZZQEJXKEIYOPE-UHFFFAOYSA-N
XLogP-0.96
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [amino(ethoxy)amino]-methoxymethanol 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

1,1-diethoxyhydrazine
CID 160785529
1-[ethoxy(methyl)amino]propan-2-ol
CID 87381608
O-ethylhydroxylamine;propan-2-ol
CID 174873596
2-(1,2-diethoxy-2-methoxyethenoxy)propane
CID 154128100
1-O-ethyl 3-O-methyl (2S)-2-methoxypropanedioate
CID 97304780
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethanol;ethyl methyl carbonate
CID 161101393
CID 175269376
CID 175269376
2,2-diethoxy-1-methoxyethanol
CID 123958282
methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
CID 126656088
2-(1-ethoxyethoxy)-1-methoxyethanol
CID 87072895

Frequently Asked Questions

What is the IUPAC name of [amino(ethoxy)amino]-methoxymethanol?
The IUPAC name of [amino(ethoxy)amino]-methoxymethanol (CID 154495239) is [amino(ethoxy)amino]-methoxymethanol.
What is the SMILES notation for [amino(ethoxy)amino]-methoxymethanol?
The canonical SMILES for [amino(ethoxy)amino]-methoxymethanol is CCON(N)C(O)OC.
What is the InChIKey of [amino(ethoxy)amino]-methoxymethanol?
The InChIKey is BZZQEJXKEIYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c1-3-9-6(5)4(7)8-2/h4,7H,3,5H2,1-2H3.
What are the key properties of [amino(ethoxy)amino]-methoxymethanol?
[amino(ethoxy)amino]-methoxymethanol has a molecular weight of 136.15 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethoxy)amino]-methoxymethanol is sourced from PubChem (CID 154495239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).