8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

C128H259N13 — CID 164972112

IUPAC8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)CN1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H35N.2C17H34N2.C15H30N2.C13H25N.C13H27N.C12H26N2.C12H25N.C11H23N/c1-16(2,3)15-7-9-18(10-8-15)11-13-19(14-12-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)13-18-10-7-17(14-18)8-11-19(12-9-17)16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h15H,7-14H2,1-6H3;2*7-14H2,1-6H3;7-12H2,1-6H3;9-11H,7-8H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3/t;;;;9-,10+,11?;;;;
InChIKeyDGOXFZHUIHMJTK-YIUORNCTSA-N
MW1980.57 g/mol
LogP30.13
Rot. Bonds1

About 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine

8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (PubChem CID 164972112) has the molecular formula C128H259N13 and a molecular weight of 1980.57 g/mol. Its IUPAC name is 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

Compound Name8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
PubChem CID164972112
Molecular FormulaC128H259N13
Molecular Weight1980.57 g/mol
Exact Mass1979.07
IUPAC Name8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)CN1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H35N.2C17H34N2.C15H30N2.C13H25N.C13H27N.C12H26N2.C12H25N.C11H23N/c1-16(2,3)15-7-9-18(10-8-15)11-13-19(14-12-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)13-18-10-7-17(14-18)8-11-19(12-9-17)16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h15H,7-14H2,1-6H3;2*7-14H2,1-6H3;7-12H2,1-6H3;9-11H,7-8H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3/t;;;;9-,10+,11?;;;;
InChIKeyDGOXFZHUIHMJTK-YIUORNCTSA-N
XLogP30.13
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001980.57
LogP ≤ 530.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The IUPAC name of 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine (CID 164972112) is 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine.
What is the SMILES notation for 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The canonical SMILES for 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CN(C(C)(C)C)C1.CC(C)(C)C1[C@H]2CN(C(C)(C)C)C[C@@H]12.CC(C)(C)CN1CCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
The InChIKey is DGOXFZHUIHMJTK-YIUORNCTSA-N. The full InChI is InChI=1S/C18H35N.2C17H34N2.C15H30N2.C13H25N.C13H27N.C12H26N2.C12H25N.C11H23N/c1-16(2,3)15-7-9-18(10-8-15)11-13-19(14-12-18)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)13-18-10-7-17(14-18)8-11-19(12-9-17)16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-10(2,3)9-7-12(8-9)11(4,5)6/h15H,7-14H2,1-6H3;2*7-14H2,1-6H3;7-12H2,1-6H3;9-11H,7-8H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;10H,7-9H2,1-6H3;9H,7-8H2,1-6H3/t;;;;9-,10+,11?;;;;.
What are the key properties of 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine?
8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine has a molecular weight of 1980.57 g/mol, XLogP of 30.13, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[4.5]decane;(1R,5S)-3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;1,3-ditert-butylazetidine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 164972112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).