N-(diethoxymethyl)-1,1-diethoxymethanamine

C10H23NO4 — CID 54336091

IUPACN-(diethoxymethyl)-1,1-diethoxymethanamine
SMILESCCOC(NC(OCC)OCC)OCC
InChIInChI=1S/C10H23NO4/c1-5-12-9(13-6-2)11-10(14-7-3)15-8-4/h9-11H,5-8H2,1-4H3
InChIKeyQJCKBDJPBYKLPU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds10

About N-(diethoxymethyl)-1,1-diethoxymethanamine

N-(diethoxymethyl)-1,1-diethoxymethanamine (PubChem CID 54336091) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(diethoxymethyl)-1,1-diethoxymethanamine.

Molecular Properties

Compound NameN-(diethoxymethyl)-1,1-diethoxymethanamine
PubChem CID54336091
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC NameN-(diethoxymethyl)-1,1-diethoxymethanamine
SMILESCCOC(NC(OCC)OCC)OCC
InChIInChI=1S/C10H23NO4/c1-5-12-9(13-6-2)11-10(14-7-3)15-8-4/h9-11H,5-8H2,1-4H3
InChIKeyQJCKBDJPBYKLPU-UHFFFAOYSA-N
XLogP1.29
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(diethoxymethyl)-1,1-diethoxymethanamine 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-butoxy-N-[butoxy(ethoxy)methyl]-1-ethoxymethanamine
CID 173191840
CID 165175162
CID 165175162
CID 165176805
CID 165176805
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1,1-diethoxyethane
CID 7765
1-(1-ethoxyethylamino)ethanol
CID 18004306
1-ethoxy-N-methylethanamine
CID 57089902
1,1-diethoxyethane;sulfane
CID 87563963
diethoxymethanamine;hydrochloride
CID 175125355
[deuterio(diethoxy)methoxy]ethane
CID 10877289
1,1-diethoxyethane;stannane
CID 87529398
dichloromethoxyethane
CID 12643245

Frequently Asked Questions

What is the IUPAC name of N-(diethoxymethyl)-1,1-diethoxymethanamine?
The IUPAC name of N-(diethoxymethyl)-1,1-diethoxymethanamine (CID 54336091) is N-(diethoxymethyl)-1,1-diethoxymethanamine.
What is the SMILES notation for N-(diethoxymethyl)-1,1-diethoxymethanamine?
The canonical SMILES for N-(diethoxymethyl)-1,1-diethoxymethanamine is CCOC(NC(OCC)OCC)OCC.
What is the InChIKey of N-(diethoxymethyl)-1,1-diethoxymethanamine?
The InChIKey is QJCKBDJPBYKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4/c1-5-12-9(13-6-2)11-10(14-7-3)15-8-4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(diethoxymethyl)-1,1-diethoxymethanamine?
N-(diethoxymethyl)-1,1-diethoxymethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxymethyl)-1,1-diethoxymethanamine is sourced from PubChem (CID 54336091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).