1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane

C106H210N18O7 — CID 167627225

IUPAC1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane
SMILESCC(C)(C)OCCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@@H](CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@H](Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)c1nnn(CCCN2CCNCC2)n1.CC(C)C
InChIInChI=1S/C19H39N3O.C19H38N2O2.C18H31N3O2.C18H36N2O.C16H32N2O.C12H24N6.C4H10/c1-18(2,3)22-11-9-21(10-12-22)16-17-7-8-20(15-17)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-11-20-16(12-19-15)23-14-7-8-21(13-14)9-10-22-18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-14(2,3)18-12-16(13-18)10-17(11-16)8-7-9-19-15(4,5)6;1-12(2,3)11-14-16-18(15-11)8-4-7-17-9-5-13-6-10-17;1-4(2)3/h17H,7-16H2,1-6H3;7-16H2,1-6H3;11-12,14H,7-10,13H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3;13H,4-10H2,1-3H3;4H,1-3H3/t17-;;14-;;;;/m1.0..../s1
InChIKeyNGYOAEZWZSNKGU-BUTXWADLSA-N
MW1848.96 g/mol
LogP16.66
Rot. Bonds26

About 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane

1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane (PubChem CID 167627225) has the molecular formula C106H210N18O7 and a molecular weight of 1848.96 g/mol. Its IUPAC name is 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane.

Molecular Properties

Compound Name1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane
PubChem CID167627225
Molecular FormulaC106H210N18O7
Molecular Weight1848.96 g/mol
Exact Mass1847.66
IUPAC Name1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane
SMILESCC(C)(C)OCCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@@H](CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@H](Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)c1nnn(CCCN2CCNCC2)n1.CC(C)C
InChIInChI=1S/C19H39N3O.C19H38N2O2.C18H31N3O2.C18H36N2O.C16H32N2O.C12H24N6.C4H10/c1-18(2,3)22-11-9-21(10-12-22)16-17-7-8-20(15-17)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-11-20-16(12-19-15)23-14-7-8-21(13-14)9-10-22-18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-14(2,3)18-12-16(13-18)10-17(11-16)8-7-9-19-15(4,5)6;1-12(2,3)11-14-16-18(15-11)8-4-7-17-9-5-13-6-10-17;1-4(2)3/h17H,7-16H2,1-6H3;7-16H2,1-6H3;11-12,14H,7-10,13H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3;13H,4-10H2,1-3H3;4H,1-3H3/t17-;;14-;;;;/m1.0..../s1
InChIKeyNGYOAEZWZSNKGU-BUTXWADLSA-N
XLogP16.66
TPSA181.66 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001848.96
LogP ≤ 516.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane?
The IUPAC name of 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane (CID 167627225) is 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane.
What is the SMILES notation for 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane?
The canonical SMILES for 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane is CC(C)(C)OCCCN1CC2(C1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@@H](CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CC[C@H](Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)c1nnn(CCCN2CCNCC2)n1.CC(C)C.
What is the InChIKey of 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane?
The InChIKey is NGYOAEZWZSNKGU-BUTXWADLSA-N. The full InChI is InChI=1S/C19H39N3O.C19H38N2O2.C18H31N3O2.C18H36N2O.C16H32N2O.C12H24N6.C4H10/c1-18(2,3)22-11-9-21(10-12-22)16-17-7-8-20(15-17)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-11-20-16(12-19-15)23-14-7-8-21(13-14)9-10-22-18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-14(2,3)18-12-16(13-18)10-17(11-16)8-7-9-19-15(4,5)6;1-12(2,3)11-14-16-18(15-11)8-4-7-17-9-5-13-6-10-17;1-4(2)3/h17H,7-16H2,1-6H3;7-16H2,1-6H3;11-12,14H,7-10,13H2,1-6H3;7-15H2,1-6H3;7-13H2,1-6H3;13H,4-10H2,1-3H3;4H,1-3H3/t17-;;14-;;;;/m1.0..../s1.
What are the key properties of 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane?
1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane has a molecular weight of 1848.96 g/mol, XLogP of 16.66, 26 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[3-(5-tert-butyltetrazol-2-yl)propyl]piperazine;2-methylpropane is sourced from PubChem (CID 167627225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).