1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane

C25H56N2O2 — CID 178105166

IUPAC1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
SMILESCCC.CCC.CCN1CC(OC)CC1C(C)C.COC1CC(C(C)C)N(C)C1
InChIInChI=1S/C10H21NO.C9H19NO.2C3H8/c1-5-11-7-9(12-4)6-10(11)8(2)3;1-7(2)9-5-8(11-4)6-10(9)3;2*1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;2*3H2,1-2H3
InChIKeyKBQTVPLWKSWTLI-UHFFFAOYSA-N
MW416.74 g/mol
LogP5.95
Rot. Bonds5

About 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane

1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane (PubChem CID 178105166) has the molecular formula C25H56N2O2 and a molecular weight of 416.74 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane.

Molecular Properties

Compound Name1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
PubChem CID178105166
Molecular FormulaC25H56N2O2
Molecular Weight416.74 g/mol
Exact Mass416.43
IUPAC Name1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
SMILESCCC.CCC.CCN1CC(OC)CC1C(C)C.COC1CC(C(C)C)N(C)C1
InChIInChI=1S/C10H21NO.C9H19NO.2C3H8/c1-5-11-7-9(12-4)6-10(11)8(2)3;1-7(2)9-5-8(11-4)6-10(9)3;2*1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;2*3H2,1-2H3
InChIKeyKBQTVPLWKSWTLI-UHFFFAOYSA-N
XLogP5.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
1-(4-methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylamino)propan-1-ol
CID 59953228
(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methyl-3-(methylideneamino)propan-1-ol
CID 59885099
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009722
(2S)-3-hydroxy-3-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylpropanamide;vanadium
CID 159274236
(2S)-1-ethyl-4-methylsulfonyl-2-propan-2-ylpyrrolidine
CID 146518657
4-methoxy-2-methyl-1-propylpyrrolidine
CID 59733967
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 158471466
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The IUPAC name of 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane (CID 178105166) is 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane.
What is the SMILES notation for 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The canonical SMILES for 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane is CCC.CCC.CCN1CC(OC)CC1C(C)C.COC1CC(C(C)C)N(C)C1.
What is the InChIKey of 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The InChIKey is KBQTVPLWKSWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C9H19NO.2C3H8/c1-5-11-7-9(12-4)6-10(11)8(2)3;1-7(2)9-5-8(11-4)6-10(9)3;2*1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;2*3H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane has a molecular weight of 416.74 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-2-propan-2-ylpyrrolidine;4-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane is sourced from PubChem (CID 178105166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).