N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine

C13H25NO2 — CID 23207125

IUPACN-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COC(C)N(C)C(C)OCC(=C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-15-12(5)14(7)13(6)16-9-11(3)4/h12-13H,1,3,8-9H2,2,4-7H3
InChIKeySFGDOUUXUYPMNW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds8

About N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine

N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 23207125) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID23207125
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COC(C)N(C)C(C)OCC(=C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-15-12(5)14(7)13(6)16-9-11(3)4/h12-13H,1,3,8-9H2,2,4-7H3
InChIKeySFGDOUUXUYPMNW-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 23207125) is N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COC(C)N(C)C(C)OCC(=C)C.
What is the InChIKey of N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is SFGDOUUXUYPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-15-12(5)14(7)13(6)16-9-11(3)4/h12-13H,1,3,8-9H2,2,4-7H3.
What are the key properties of N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine?
N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 23207125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).