3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

C11H23NO2 — CID 114466022

IUPAC3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNCC(C)COC
InChIInChI=1S/C11H23NO2/c1-10(2)8-14-6-5-12-7-11(3)9-13-4/h11-12H,1,5-9H2,2-4H3
InChIKeyQAIDAZJLFYMYNC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds9

About 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (PubChem CID 114466022) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
PubChem CID114466022
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNCC(C)COC
InChIInChI=1S/C11H23NO2/c1-10(2)8-14-6-5-12-7-11(3)9-13-4/h11-12H,1,5-9H2,2-4H3
InChIKeyQAIDAZJLFYMYNC-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
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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Related Compounds

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 114467715
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
2-[(2-Methyl-3-prop-2-enoxypropyl)amino]ethanol
CID 90244806

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (CID 114466022) is 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is C=C(C)COCCNCC(C)COC.
What is the InChIKey of 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The InChIKey is QAIDAZJLFYMYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)8-14-6-5-12-7-11(3)9-13-4/h11-12H,1,5-9H2,2-4H3.
What are the key properties of 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is sourced from PubChem (CID 114466022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).