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

C14H30N2O3 — CID 63741293

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C1CCCOC1
InChIInChI=1S/C14H30N2O3/c1-17-8-4-6-16(7-10-18-2)14(11-15)13-5-3-9-19-12-13/h13-14H,3-12,15H2,1-2H3
InChIKeyJQCVPTFGXANCQW-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.73
Rot. Bonds10

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

N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63741293) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63741293
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCCCN(CCOC)C(CN)C1CCCOC1
InChIInChI=1S/C14H30N2O3/c1-17-8-4-6-16(7-10-18-2)14(11-15)13-5-3-9-19-12-13/h13-14H,3-12,15H2,1-2H3
InChIKeyJQCVPTFGXANCQW-UHFFFAOYSA-N
XLogP0.73
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 63741293) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine is COCCCN(CCOC)C(CN)C1CCCOC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is JQCVPTFGXANCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-17-8-4-6-16(7-10-18-2)14(11-15)13-5-3-9-19-12-13/h13-14H,3-12,15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 274.40 g/mol, XLogP of 0.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63741293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).