2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine

C71H147N9 — CID 162262663

IUPAC2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
SMILESCC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1(C)CCCC(C2CC(C)(C)NC(C)(C)C2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CCC1(CC)CCC(CC)(CC)N1
InChIInChI=1S/C16H32N2.C12H25N.C10H19N.C8H17N.C7H15N.3C6H13N/c1-14(2)9-7-8-13(17-14)12-10-15(3,4)18-16(5,6)11-12;1-5-11(6-2)9-10-12(7-3,8-4)13-11;1-9(2)7-8-10(11-9)5-3-4-6-10;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;3*1-5-3-4-6(2)7-5/h12-13,17-18H,7-11H2,1-6H3;13H,5-10H2,1-4H3;11H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;3*5-7H,3-4H2,1-2H3
InChIKeyZZLRGRAMCHQBSQ-UHFFFAOYSA-N
MW1127.02 g/mol
LogP16.32
Rot. Bonds5

About 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine

2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine (PubChem CID 162262663) has the molecular formula C71H147N9 and a molecular weight of 1127.02 g/mol. Its IUPAC name is 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
PubChem CID162262663
Molecular FormulaC71H147N9
Molecular Weight1127.02 g/mol
Exact Mass1126.18
IUPAC Name2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine
SMILESCC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1(C)CCCC(C2CC(C)(C)NC(C)(C)C2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CCC1(CC)CCC(CC)(CC)N1
InChIInChI=1S/C16H32N2.C12H25N.C10H19N.C8H17N.C7H15N.3C6H13N/c1-14(2)9-7-8-13(17-14)12-10-15(3,4)18-16(5,6)11-12;1-5-11(6-2)9-10-12(7-3,8-4)13-11;1-9(2)7-8-10(11-9)5-3-4-6-10;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;3*1-5-3-4-6(2)7-5/h12-13,17-18H,7-11H2,1-6H3;13H,5-10H2,1-4H3;11H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;3*5-7H,3-4H2,1-2H3
InChIKeyZZLRGRAMCHQBSQ-UHFFFAOYSA-N
XLogP16.32
TPSA108.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms80
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.02
LogP ≤ 516.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;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;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The IUPAC name of 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine (CID 162262663) is 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine.
What is the SMILES notation for 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The canonical SMILES for 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine is CC1(C)CCC(C)(C)N1.CC1(C)CCC2(CCCC2)N1.CC1(C)CCCC(C2CC(C)(C)NC(C)(C)C2)N1.CC1CCC(C)(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CC1CCC(C)N1.CCC1(CC)CCC(CC)(CC)N1.
What is the InChIKey of 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
The InChIKey is ZZLRGRAMCHQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C12H25N.C10H19N.C8H17N.C7H15N.3C6H13N/c1-14(2)9-7-8-13(17-14)12-10-15(3,4)18-16(5,6)11-12;1-5-11(6-2)9-10-12(7-3,8-4)13-11;1-9(2)7-8-10(11-9)5-3-4-6-10;1-7(2)5-6-8(3,4)9-7;1-6-4-5-7(2,3)8-6;3*1-5-3-4-6(2)7-5/h12-13,17-18H,7-11H2,1-6H3;13H,5-10H2,1-4H3;11H,3-8H2,1-2H3;9H,5-6H2,1-4H3;6,8H,4-5H2,1-3H3;3*5-7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine?
2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine has a molecular weight of 1127.02 g/mol, XLogP of 16.32, 5 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-azaspiro[4.4]nonane;4-(6,6-dimethylpiperidin-2-yl)-2,2,6,6-tetramethylpiperidine;tris(2,5-dimethylpyrrolidine);2,2,5,5-tetraethylpyrrolidine;2,2,5,5-tetramethylpyrrolidine;2,2,5-trimethylpyrrolidine is sourced from PubChem (CID 162262663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).