2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane

C14H29NO — CID 164922707

IUPAC2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane
SMILESCC1CC(/C=C/C(C)(C)C)N(C)C1.COC
InChIInChI=1S/C12H23N.C2H6O/c1-10-8-11(13(5)9-10)6-7-12(2,3)4;1-3-2/h6-7,10-11H,8-9H2,1-5H3;1-2H3/b7-6+;
InChIKeyACWQKIIHBVVVSJ-UHDJGPCESA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds1

About 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane

2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane (PubChem CID 164922707) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane.

Molecular Properties

Compound Name2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane
PubChem CID164922707
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane
SMILESCC1CC(/C=C/C(C)(C)C)N(C)C1.COC
InChIInChI=1S/C12H23N.C2H6O/c1-10-8-11(13(5)9-10)6-7-12(2,3)4;1-3-2/h6-7,10-11H,8-9H2,1-5H3;1-2H3/b7-6+;
InChIKeyACWQKIIHBVVVSJ-UHDJGPCESA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,8S,8aR)-8-methyl-5-propyl-1,2,3,5,8,8a-hexahydroindolizine
CID 24873534
(5R,8R,8aS)-8-Methyl-5-propyl-1,2,3,5,8,8a-hexahydroindolizine
CID 74340628
2-Butyl-2-azabicyclo[2.2.1]hept-5-ene
CID 19854927
2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-ene
CID 57643266
2-(2,2-Dimethylpropyl)-2-azabicyclo[2.2.1]hept-5-ene
CID 57892108
1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 59252384
2-(2-Methylpropyl)-2-azabicyclo[2.2.1]hept-5-ene
CID 59691645
(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine
CID 59936388
2-Tert-butyl-1-(cyclohex-2-en-1-ylmethyl)pyrrolidine
CID 67953190
1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 89461259
4-Methyl-2-prop-1-enyl-1-propylpyrrolidine
CID 123532486
4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane
CID 143361158

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane?
The IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane (CID 164922707) is 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane.
What is the SMILES notation for 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane?
The canonical SMILES for 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane is CC1CC(/C=C/C(C)(C)C)N(C)C1.COC.
What is the InChIKey of 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane?
The InChIKey is ACWQKIIHBVVVSJ-UHDJGPCESA-N. The full InChI is InChI=1S/C12H23N.C2H6O/c1-10-8-11(13(5)9-10)6-7-12(2,3)4;1-3-2/h6-7,10-11H,8-9H2,1-5H3;1-2H3/b7-6+;.
What are the key properties of 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane?
2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane has a molecular weight of 227.39 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3-dimethylbut-1-enyl]-1,4-dimethylpyrrolidine;methoxymethane is sourced from PubChem (CID 164922707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).