4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)

C176H369N25O6 — CID 160942024

About 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (PubChem CID 160942024) has the molecular formula C176H369N25O6 and a molecular weight of 2932.06 g/mol. Its IUPAC name is 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine).

Molecular Properties

• Compound Name: 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
• PubChem CID: 160942024
• Molecular Formula: C176H369N25O6
• Molecular Weight: 2932.06 g/mol
• Exact Mass: 2929.93
• IUPAC Name: 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)
• SMILES: CC(C)(C)CC1CC1COC(C)(C)C.CC(C)(C)CN1CCC(C(C)(C)C)CC1.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)CN1CCOC2(CCN(C(C)(C)C)CC2)C1.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.CC1CCN(CC(C)(C)C)C1.CCN1CCN(CC)CC1.CN1CCCN(CC(C)(C)C)CC1
• InChI: InChI=1S/2C17H34N2O.C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C14H29N.C13H26O.C11H24N2.C10H21N.C8H18N2/c1-15(2,3)13-18-11-12-20-17(14-18)7-9-19(10-8-17)16(4,5)6;1-15(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;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-12(2,3)8-10-7-11(10)9-14-13(4,5)6;1-11(2,3)10-13-7-5-6-12(4)8-9-13;1-9-5-6-11(7-9)8-10(2,3)4;1-3-9-5-7-10(4-2)8-6-9/h2*7-14H2,1-6H3;12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;12H,7-11H2,1-6H3;10-11H,7-9H2,1-6H3;5-10H2,1-4H3;9H,5-8H2,1-4H3;3-8H2,1-2H3/t;;2*12-,13-;;;;;;;;;/m..00........./s1
• InChIKey: SUPZSHUIIHWZHV-JAMRMWENSA-N
• XLogP: 31.89
• TPSA: 162.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2932.06
LogP ≤ 5	31.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) (CID 160942024) is 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is CC(C)(C)CC1CC1COC(C)(C)C.CC(C)(C)CN1CCC(C(C)(C)C)CC1.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)CN1CCOC2(CCN(C(C)(C)C)CC2)C1.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.CC1CCN(CC(C)(C)C)C1.CCN1CCN(CC)CC1.CN1CCCN(CC(C)(C)C)CC1.

What is the InChIKey of 4-tert-butyl-9-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;9-tert-butyl-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine)?

The InChIKey is SUPZSHUIIHWZHV-JAMRMWENSA-N. The full InChI is InChI=1S/2C17H34N2O.C15H31N3.C15H30N2O.2C14H31N3.2C14H30N2O.C14H29N.C13H26O.C11H24N2.C10H21N.C8H18N2/c1-15(2,3)13-18-11-12-20-17(14-18)7-9-19(10-8-17)16(4,5)6;1-15(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;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6;1-12(2,3)8-10-7-11(10)9-14-13(4,5)6;1-11(2,3)10-13-7-5-6-12(4)8-9-13;1-9-5-6-11(7-9)8-10(2,3)4;1-3-9-5-7-10(4-2)8-6-9/h2*7-14H2,1-6H3;12-13,16H,7-11H2,1-6H3;12-13H,7-11H2,1-6H3;2*15H,7-12H2,1-6H3;2*7-12H2,1-6H3;12H,7-11H2,1-6H3;10-11H,7-9H2,1-6H3;5-10H2,1-4H3;9H,5-8H2,1-4H3;3-8H2,1-2H3/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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) has a molecular weight of 2932.06 g/mol, XLogP of 31.89, 28 rotatable bonds, 3 hydrogen bond donors, and 31 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-4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;1,4-diethylpiperazine;N-[[(1S,4S)-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;1-(2,2-dimethylpropyl)-4-methyl-1,4-diazepane;1-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;(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);1-(2,2-dimethylpropyl)-3-methylpyrrolidine;bis(N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine) is sourced from PubChem (CID 160942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).