N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

C12H26N2O2 — CID 81059106

IUPACN-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-3-15-8-6-14(2)12(9-13)11-5-4-7-16-10-11/h11-12H,3-10,13H2,1-2H3
InChIKeyWIQUNCJAVBTQML-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds7

About N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine

N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 81059106) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID81059106
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-3-15-8-6-14(2)12(9-13)11-5-4-7-16-10-11/h11-12H,3-10,13H2,1-2H3
InChIKeyWIQUNCJAVBTQML-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-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-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (CID 81059106) is N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is CCOCCN(C)C(CN)C1CCCOC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is WIQUNCJAVBTQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-15-8-6-14(2)12(9-13)11-5-4-7-16-10-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 81059106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).