N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine

C11H26N2O — CID 134874905

IUPACN'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCOCN(CC)CCN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-12(6-2)9-10-13(7-3)11-14-8-4/h5-11H2,1-4H3
InChIKeyMBCSEUCTTRIVNC-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.64
Rot. Bonds9

About N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine

N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine (PubChem CID 134874905) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine
PubChem CID134874905
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine
SMILESCCOCN(CC)CCN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-12(6-2)9-10-13(7-3)11-14-8-4/h5-11H2,1-4H3
InChIKeyMBCSEUCTTRIVNC-UHFFFAOYSA-N
XLogP1.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine 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 N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine (CID 134874905) is N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine is CCOCN(CC)CCN(CC)CC.
What is the InChIKey of N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is MBCSEUCTTRIVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-12(6-2)9-10-13(7-3)11-14-8-4/h5-11H2,1-4H3.
What are the key properties of N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine?
N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethoxymethyl)-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 134874905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).