bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C120H244N20O3 — CID 164992307

IUPACbis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C11H22N2.3C10H20N2.C10H19NO.C9H18N2.C9H17NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N/c2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)10-4-9(5-10)6-11-7-9;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyHALKESCMSOUWPU-UHFFFAOYSA-N
MW2015.41 g/mol
LogP17.84
Rot. Bonds

About bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 164992307) has the molecular formula C120H244N20O3 and a molecular weight of 2015.41 g/mol. Its IUPAC name is bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Namebis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID164992307
Molecular FormulaC120H244N20O3
Molecular Weight2015.41 g/mol
Exact Mass2013.96
IUPAC Namebis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C11H22N2.3C10H20N2.C10H19NO.C9H18N2.C9H17NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N/c2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)10-4-9(5-10)6-11-7-9;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3
InChIKeyHALKESCMSOUWPU-UHFFFAOYSA-N
XLogP17.84
TPSA136.44 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.41
LogP ≤ 517.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 164992307) is bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1C2CCC1CNC2.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CC2CC1CN2.CC(C)(C)N1CC2CCC(C1)N2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC1CN2.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is HALKESCMSOUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2.3C10H20N2.C10H19NO.C9H18N2.C9H17NO.C9H19N.C8H18N2.C8H17NO.C8H17N.C7H15N/c2*1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-10(2,3)12-7-8-4-5-9(12)6-11-8;1-10(2,3)12-6-8-4-5-9(7-12)11-8;1-10(2,3)12-8-4-5-9(12)7-11-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-9(2,3)11-6-7-4-8(11)5-10-7;1-8(2,3)10-4-9(5-10)6-11-7-9;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)8-5-4-6-8/h2*10H,4-9H2,1-3H3;3*8-9,11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3.
What are the key properties of bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 2015.41 g/mol, XLogP of 17.84, 0 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine);1-tert-butylazetidine;2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane;4-tert-butylmorpholine;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 164992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).