butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane

C26H58N2O — CID 178106224

IUPACbutane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
SMILESCCC.CCCC.CCN1CCC(C)C1C(C)C.COC1CCN(C)C1C(C)C
InChIInChI=1S/C10H21N.C9H19NO.C4H10.C3H8/c1-5-11-7-6-9(4)10(11)8(2)3;1-7(2)9-8(11-4)5-6-10(9)3;1-3-4-2;1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyZCJGBTMFTZUDAL-UHFFFAOYSA-N
MW414.76 g/mol
LogP6.96
Rot. Bonds5

About butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane

butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane (PubChem CID 178106224) has the molecular formula C26H58N2O and a molecular weight of 414.76 g/mol. Its IUPAC name is butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane.

Molecular Properties

Compound Namebutane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
PubChem CID178106224
Molecular FormulaC26H58N2O
Molecular Weight414.76 g/mol
Exact Mass414.45
IUPAC Namebutane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
SMILESCCC.CCCC.CCN1CCC(C)C1C(C)C.COC1CCN(C)C1C(C)C
InChIInChI=1S/C10H21N.C9H19NO.C4H10.C3H8/c1-5-11-7-6-9(4)10(11)8(2)3;1-7(2)9-8(11-4)5-6-10(9)3;1-3-4-2;1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyZCJGBTMFTZUDAL-UHFFFAOYSA-N
XLogP6.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The IUPAC name of butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane (CID 178106224) is butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane.
What is the SMILES notation for butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The canonical SMILES for butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane is CCC.CCCC.CCN1CCC(C)C1C(C)C.COC1CCN(C)C1C(C)C.
What is the InChIKey of butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
The InChIKey is ZCJGBTMFTZUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19NO.C4H10.C3H8/c1-5-11-7-6-9(4)10(11)8(2)3;1-7(2)9-8(11-4)5-6-10(9)3;1-3-4-2;1-3-2/h8-10H,5-7H2,1-4H3;7-9H,5-6H2,1-4H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane?
butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane has a molecular weight of 414.76 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane is sourced from PubChem (CID 178106224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).