N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine

C9H20N2O — CID 62381598

IUPACN-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(C)CCNCCOC
InChIInChI=1S/C9H20N2O/c1-4-7-11(2)8-5-10-6-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyGSXDNDOQRDJXEF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.34
Rot. Bonds8

About N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine (PubChem CID 62381598) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
PubChem CID62381598
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(C)CCNCCOC
InChIInChI=1S/C9H20N2O/c1-4-7-11(2)8-5-10-6-9-12-3/h4,10H,1,5-9H2,2-3H3
InChIKeyGSXDNDOQRDJXEF-UHFFFAOYSA-N
XLogP0.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine (CID 62381598) is N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine is C=CCN(C)CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is GSXDNDOQRDJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7-11(2)8-5-10-6-9-12-3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62381598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).