4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)

C128H271N21O5 — CID 157471314

IUPAC4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
SMILESCC(C)(C)C.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)CCO2.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1
InChIInChI=1S/C17H34N2O.C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C12H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-14(2,3)10-17-8-13-7-12(17)9-18(13)11-16-15(4,5)6;1-14(2,3)10-16-8-13-7-12(16)9-17(13)11-18-15(4,5)6;2*1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;2*1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;13H,4-10H2,1-3H3;3-8H2,1-2H3;1-4H3/t;2*12-,13-;;;;;;;/m.00......./s1
InChIKeyBVBNALDAXIGPHQ-BEJNUMCWSA-N
MW2184.72 g/mol
LogP20.47
Rot. Bonds21

About 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)

4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (PubChem CID 157471314) has the molecular formula C128H271N21O5 and a molecular weight of 2184.72 g/mol. Its IUPAC name is 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine).

Molecular Properties

Compound Name4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
PubChem CID157471314
Molecular FormulaC128H271N21O5
Molecular Weight2184.72 g/mol
Exact Mass2183.16
IUPAC Name4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
SMILESCC(C)(C)C.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)CCO2.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1
InChIInChI=1S/C17H34N2O.C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C12H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-14(2,3)10-17-8-13-7-12(17)9-18(13)11-16-15(4,5)6;1-14(2,3)10-16-8-13-7-12(16)9-17(13)11-18-15(4,5)6;2*1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;2*1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;13H,4-10H2,1-3H3;3-8H2,1-2H3;1-4H3/t;2*12-,13-;;;;;;;/m.00......./s1
InChIKeyBVBNALDAXIGPHQ-BEJNUMCWSA-N
XLogP20.47
TPSA149.35 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002184.72
LogP ≤ 520.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?
The IUPAC name of 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (CID 157471314) is 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine).
What is the SMILES notation for 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?
The canonical SMILES for 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is CC(C)(C)C.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)CCO2.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CC(C)(C)CN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1.
What is the InChIKey of 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?
The InChIKey is BVBNALDAXIGPHQ-BEJNUMCWSA-N. The full InChI is InChI=1S/C17H34N2O.C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C12H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-14(2,3)10-17-8-13-7-12(17)9-18(13)11-16-15(4,5)6;1-14(2,3)10-16-8-13-7-12(16)9-17(13)11-18-15(4,5)6;2*1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;2*1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;13H,4-10H2,1-3H3;3-8H2,1-2H3;1-4H3/t;2*12-,13-;;;;;;;/m.00......./s1.
What are the key properties of 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?
4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) has a molecular weight of 2184.72 g/mol, XLogP of 20.47, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane;1,4-diethylpiperazine;2,2-dimethylpropane;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-(2,2-dimethylpropyl)-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;bis(1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine);bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is sourced from PubChem (CID 157471314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).