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

C13H27NO2 — CID 58451787

IUPACN-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
SMILESC=C(C)COCCN(C)CCOCC(C)C
InChIInChI=1S/C13H27NO2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h13H,1,6-11H2,2-5H3
InChIKeyUWIPDRLNQYGRMU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.18
Rot. Bonds10

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

N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 58451787) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
PubChem CID58451787
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
SMILESC=C(C)COCCN(C)CCOCC(C)C
InChIInChI=1S/C13H27NO2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h13H,1,6-11H2,2-5H3
InChIKeyUWIPDRLNQYGRMU-UHFFFAOYSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
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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Related Compounds

N,N-Diethyl-2-[(prop-2-en-1-yl)oxy]ethan-1-amine
CID 261282
N,N-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]ethan-1-amine
CID 17878359
2-(2-methylprop-2-enoxy)-N,N-bis[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 17958727
Trimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
CID 22770234
N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
CID 22899058
4-[1-(2-Methylprop-2-enoxy)ethyl]morpholine
CID 23179081
N-methyl-1-(2-methylprop-2-enoxy)-N-[1-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 23207125
N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine
CID 58451785
1-(Methoxymethyl)-1-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidin-1-ium
CID 67090653
3-[1-(2-Methylprop-2-enoxy)ethyl]-1,3-oxazolidine
CID 70600563
Methyl-tris(2-prop-2-enoxyethyl)azanium
CID 87091987
Dimethyl-bis(2-prop-2-enoxyethyl)azanium
CID 87092033

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine (CID 58451787) is N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine is C=C(C)COCCN(C)CCOCC(C)C.
What is the InChIKey of N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is UWIPDRLNQYGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)10-15-8-6-14(5)7-9-16-11-13(3)4/h13H,1,6-11H2,2-5H3.
What are the key properties of N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine?
N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 58451787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).