2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine

C50H104N6 — CID 158145347

IUPAC2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
SMILESCC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CCN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCC1(C)C
InChIInChI=1S/C10H19N.C10H21N.C9H19N.C8H17N.C7H15N.C6H13N/c1-9(2)7-8-10(11-9)5-3-4-6-10;1-6-11-9(2,3)7-8-10(11,4)5;1-8(2)6-7-9(3,4)10(8)5;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;1-5-3-4-6(2)7-5/h11H,3-8H2,1-2H3;6-8H2,1-5H3;6-7H2,1-5H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyFULIQQURXGJEQZ-UHFFFAOYSA-N
MW789.42 g/mol
LogP12.00
Rot. Bonds1

About 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine

2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine (PubChem CID 158145347) has the molecular formula C50H104N6 and a molecular weight of 789.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
PubChem CID158145347
Molecular FormulaC50H104N6
Molecular Weight789.42 g/mol
Exact Mass788.83
IUPAC Name2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
SMILESCC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CCN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCC1(C)C
InChIInChI=1S/C10H19N.C10H21N.C9H19N.C8H17N.C7H15N.C6H13N/c1-9(2)7-8-10(11-9)5-3-4-6-10;1-6-11-9(2,3)7-8-10(11,4)5;1-8(2)6-7-9(3,4)10(8)5;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;1-5-3-4-6(2)7-5/h11H,3-8H2,1-2H3;6-8H2,1-5H3;6-7H2,1-5H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3
InChIKeyFULIQQURXGJEQZ-UHFFFAOYSA-N
XLogP12.00
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.42
LogP ≤ 512.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The IUPAC name of 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine (CID 158145347) is 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine.
What is the SMILES notation for 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The canonical SMILES for 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine is CC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CCN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The InChIKey is FULIQQURXGJEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C10H21N.C9H19N.C8H17N.C7H15N.C6H13N/c1-9(2)7-8-10(11-9)5-3-4-6-10;1-6-11-9(2,3)7-8-10(11,4)5;1-8(2)6-7-9(3,4)10(8)5;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;1-5-3-4-6(2)7-5/h11H,3-8H2,1-2H3;6-8H2,1-5H3;6-7H2,1-5H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine has a molecular weight of 789.42 g/mol, XLogP of 12.00, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azaspiro[4.4]nonane;2,5-dimethylpyrrolidine;1-ethyl-2,2,5,5-tetramethylpyrrolidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine is sourced from PubChem (CID 158145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).