6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen

C128H273N15O2 — CID 158894294

IUPAC6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C11H21N.C9H18N2.C9H17NO.4C9H19N.C8H18N2.C8H17NO.3C8H17N.2C8H16.C7H15N.4H2/c1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;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)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;;/h4-9H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;4*1H/t;;7-,8-;;;;;;;;;;;;;;;;/m..1................/s1
InChIKeyJEQFZQPIAOVNNY-ZXZFJZIWSA-N
MW2054.69 g/mol
LogP28.37
Rot. Bonds

About 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen

6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen (PubChem CID 158894294) has the molecular formula C128H273N15O2 and a molecular weight of 2054.69 g/mol. Its IUPAC name is 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
PubChem CID158894294
Molecular FormulaC128H273N15O2
Molecular Weight2054.69 g/mol
Exact Mass2053.17
IUPAC Name6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C11H21N.C9H18N2.C9H17NO.4C9H19N.C8H18N2.C8H17NO.3C8H17N.2C8H16.C7H15N.4H2/c1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;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)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;;/h4-9H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;4*1H/t;;7-,8-;;;;;;;;;;;;;;;;/m..1................/s1
InChIKeyJEQFZQPIAOVNNY-ZXZFJZIWSA-N
XLogP28.37
TPSA128.59 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.69
LogP ≤ 528.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The IUPAC name of 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen (CID 158894294) is 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen.
What is the SMILES notation for 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The canonical SMILES for 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen is CC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCC2(CC1)CC2.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The InChIKey is JEQFZQPIAOVNNY-ZXZFJZIWSA-N. The full InChI is InChI=1S/C11H21N.C9H18N2.C9H17NO.4C9H19N.C8H18N2.C8H17NO.3C8H17N.2C8H16.C7H15N.4H2/c1-10(2,3)12-8-6-11(4-5-11)7-9-12;1-8(2,3)11-6-9(7-11)4-10-5-9;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;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)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;;/h4-9H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;4*1H/t;;7-,8-;;;;;;;;;;;;;;;;/m..1................/s1.
What are the key properties of 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen has a molecular weight of 2054.69 g/mol, XLogP of 28.37, 0 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-6-azaspiro[2.5]octane;1-tert-butylazetidine;bis(tert-butylcyclobutane);2-tert-butyl-2,6-diazaspiro[3.3]heptane;4-tert-butylmorpholine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 158894294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).