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

C12H25NO2 — CID 103033655

IUPAC3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)(C)OC
InChIInChI=1S/C12H25NO2/c1-11(2)10-15-9-8-13-7-6-12(3,4)14-5/h13H,1,6-10H2,2-5H3
InChIKeyIZBWUFDCTUTXEQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds9

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

3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (PubChem CID 103033655) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
PubChem CID103033655
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)(C)OC
InChIInChI=1S/C12H25NO2/c1-11(2)10-15-9-8-13-7-6-12(3,4)14-5/h13H,1,6-10H2,2-5H3
InChIKeyIZBWUFDCTUTXEQ-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
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-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
2-[1-(2-Methylprop-2-enoxy)ethyl]morpholine
CID 70372421
Methane;2-methoxy-2-methylpropane;6-methylidene-1,4-oxazepane;hydrate
CID 144042167
2-Methyl-2-prop-1-en-2-ylmorpholine
CID 164060428
(3R)-3-(2-methylprop-2-enoxy)pyrrolidine
CID 26191899
(3S)-3-(2-methylprop-2-enoxy)pyrrolidine
CID 26191901
3-(2-Methylprop-2-enoxy)pyrrolidine
CID 45075472
3-[(2-Methyl-2-propenyl)oxy]pyrrolidine hydrochloride
CID 46735713
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990
N-ethyl-3-methyl-2-prop-2-enoxybutan-1-amine
CID 62442258

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (CID 103033655) is 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is C=C(C)COCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The InChIKey is IZBWUFDCTUTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)10-15-9-8-13-7-6-12(3,4)14-5/h13H,1,6-10H2,2-5H3.
What are the key properties of 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is sourced from PubChem (CID 103033655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).