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

C13H28N2O2 — CID 63741297

IUPACN-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-3-15(7-9-16-4-2)13(10-14)12-6-5-8-17-11-12/h12-13H,3-11,14H2,1-2H3
InChIKeyZESDEMRHCYJKGQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds8

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

N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63741297) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63741297
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCCOCCN(CC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O2/c1-3-15(7-9-16-4-2)13(10-14)12-6-5-8-17-11-12/h12-13H,3-11,14H2,1-2H3
InChIKeyZESDEMRHCYJKGQ-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine (CID 63741297) is N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine is CCOCCN(CC)C(CN)C1CCCOC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is ZESDEMRHCYJKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-15(7-9-16-4-2)13(10-14)12-6-5-8-17-11-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine?
N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63741297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).