N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine

C13H28N2O3 — CID 63740581

IUPACN,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O3/c1-16-8-5-15(6-9-17-2)13(10-14)12-4-3-7-18-11-12/h12-13H,3-11,14H2,1-2H3
InChIKeyXYJIRJQSOGQQPM-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.34
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine

N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63740581) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63740581
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCN(CCOC)C(CN)C1CCCOC1
InChIInChI=1S/C13H28N2O3/c1-16-8-5-15(6-9-17-2)13(10-14)12-4-3-7-18-11-12/h12-13H,3-11,14H2,1-2H3
InChIKeyXYJIRJQSOGQQPM-UHFFFAOYSA-N
XLogP0.34
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 63740581) is N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine is COCCN(CCOC)C(CN)C1CCCOC1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is XYJIRJQSOGQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-16-8-5-15(6-9-17-2)13(10-14)12-4-3-7-18-11-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine?
N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63740581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).