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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine

C116H247N21O5 — CID 159501999

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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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(COC(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1.CCN1CCN(CNC(C)(C)C)CC1.CCN1CCN(COC(C)(C)C)CC1.CCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CCN1C[C@@H]2C[C@H]1CN2COC(C)(C)C
InChIInChI=1S/C17H34N2O.C14H31N3.C14H30N2O.C12H25N3.2C12H24N2O.C11H25N3.C11H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-5-13-7-11-6-10(13)8-14(11)9-15-12(2,3)4;1-5-13-6-8-14(9-7-13)10-12-11(2,3)4;1-5-12-6-8-13(9-7-12)10-14-11(2,3)4;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;10-11,13H,5-9H2,1-4H3;13H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;12H,5-10H2,1-4H3;5-10H2,1-4H3;3-8H2,1-2H3;1-4H3/t;;;10-,11-;;10-,11-;;;;/m...0.0..../s1
InChIKeyLZMVORKQRLLHKS-KKFAZPPSSA-N
MW2016.39 g/mol
LogP16.37
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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine (PubChem CID 159501999) has the molecular formula C116H247N21O5 and a molecular weight of 2016.39 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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine
PubChem CID159501999
Molecular FormulaC116H247N21O5
Molecular Weight2016.39 g/mol
Exact Mass2014.97
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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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(COC(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1.CCN1CCN(CNC(C)(C)C)CC1.CCN1CCN(COC(C)(C)C)CC1.CCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CCN1C[C@@H]2C[C@H]1CN2COC(C)(C)C
InChIInChI=1S/C17H34N2O.C14H31N3.C14H30N2O.C12H25N3.2C12H24N2O.C11H25N3.C11H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-5-13-7-11-6-10(13)8-14(11)9-15-12(2,3)4;1-5-13-6-8-14(9-7-13)10-12-11(2,3)4;1-5-12-6-8-13(9-7-12)10-14-11(2,3)4;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;10-11,13H,5-9H2,1-4H3;13H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;12H,5-10H2,1-4H3;5-10H2,1-4H3;3-8H2,1-2H3;1-4H3/t;;;10-,11-;;10-,11-;;;;/m...0.0..../s1
InChIKeyLZMVORKQRLLHKS-KKFAZPPSSA-N
XLogP16.37
TPSA149.35 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.39
LogP ≤ 516.37
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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine (CID 159501999) 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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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(COC(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CNCCO2.CCN1CCN(CC)CC1.CCN1CCN(CNC(C)(C)C)CC1.CCN1CCN(COC(C)(C)C)CC1.CCN1C[C@@H]2C[C@H]1CN2CNC(C)(C)C.CCN1C[C@@H]2C[C@H]1CN2COC(C)(C)C.
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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is LZMVORKQRLLHKS-KKFAZPPSSA-N. The full InChI is InChI=1S/C17H34N2O.C14H31N3.C14H30N2O.C12H25N3.2C12H24N2O.C11H25N3.C11H24N2O.C8H18N2.C5H12/c1-15(2,3)13-18-9-7-17(8-10-18)14-19(11-12-20-17)16(4,5)6;1-13(2,3)11-16-7-9-17(10-8-16)12-15-14(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12-17-14(4,5)6;1-5-14-7-11-6-10(14)8-15(11)9-13-12(2,3)4;1-11(2,3)14-7-4-12(5-8-14)10-13-6-9-15-12;1-5-13-7-11-6-10(13)8-14(11)9-15-12(2,3)4;1-5-13-6-8-14(9-7-13)10-12-11(2,3)4;1-5-12-6-8-13(9-7-12)10-14-11(2,3)4;1-3-9-5-7-10(4-2)8-6-9;1-5(2,3)4/h7-14H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;10-11,13H,5-9H2,1-4H3;13H,4-10H2,1-3H3;10-11H,5-9H2,1-4H3;12H,5-10H2,1-4H3;5-10H2,1-4H3;3-8H2,1-2H3;1-4H3/t;;;10-,11-;;10-,11-;;;;/m...0.0..../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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 2016.39 g/mol, XLogP of 16.37, 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;1-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-2-methylpropan-2-amine;N-[[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-methylpropan-2-amine;(1S,4S)-2-ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-2,5-diazabicyclo[2.2.1]heptane;1-ethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;N-[(4-ethylpiperazin-1-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 159501999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).