1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

C127H261N13O11 — CID 158032540

IUPAC1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESCC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C(C)CN1CCOC(C)(C)C.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C
InChIInChI=1S/C18H38N2O2.C17H36N2O.2C16H34N2O.C16H33NO2.2C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-13-12-18(15(3,4)5)14(2)11-17(13)9-10-19-16(6,7)8;1-15(2,3)7-8-17-9-11-18(12-10-17)13-14-19-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-14(2,3)17-9-7-8-16(10-11-17)12-13-18-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;7-15H2,1-6H3;13-14H,9-12H2,1-8H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;7-13H2,1-6H3;11-12H2,1-6H3
InChIKeyFHIVCFCUURLXMX-UHFFFAOYSA-N
MW2146.56 g/mol
LogP23.27
Rot. Bonds32

About 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine

1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (PubChem CID 158032540) has the molecular formula C127H261N13O11 and a molecular weight of 2146.56 g/mol. Its IUPAC name is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.

Molecular Properties

Compound Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
PubChem CID158032540
Molecular FormulaC127H261N13O11
Molecular Weight2146.56 g/mol
Exact Mass2145.03
IUPAC Name1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
SMILESCC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C(C)CN1CCOC(C)(C)C.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C
InChIInChI=1S/C18H38N2O2.C17H36N2O.2C16H34N2O.C16H33NO2.2C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-13-12-18(15(3,4)5)14(2)11-17(13)9-10-19-16(6,7)8;1-15(2,3)7-8-17-9-11-18(12-10-17)13-14-19-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-14(2,3)17-9-7-8-16(10-11-17)12-13-18-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;7-15H2,1-6H3;13-14H,9-12H2,1-8H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;7-13H2,1-6H3;11-12H2,1-6H3
InChIKeyFHIVCFCUURLXMX-UHFFFAOYSA-N
XLogP23.27
TPSA143.65 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.56
LogP ≤ 523.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The IUPAC name of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine (CID 158032540) is 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine.
What is the SMILES notation for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The canonical SMILES for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is CC(C)(C)CCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)COC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC#CC#CCOC(C)(C)C.CC(C)(C)OCCN1CCCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C(C)CN1CCOC(C)(C)C.CC1CN(C(C)(C)C)CCN1CCOC(C)(C)C.CC1CN(CCOC(C)(C)C)CC(C)N1CCOC(C)(C)C.
What is the InChIKey of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
The InChIKey is FHIVCFCUURLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2.C17H36N2O.2C16H34N2O.C16H33NO2.2C15H32N2O.C14H22O2/c1-15-13-19(9-11-21-17(3,4)5)14-16(2)20(15)10-12-22-18(6,7)8;1-16(2,3)8-11-18-9-7-10-19(13-12-18)14-15-20-17(4,5)6;1-13-12-18(15(3,4)5)14(2)11-17(13)9-10-19-16(6,7)8;1-15(2,3)7-8-17-9-11-18(12-10-17)13-14-19-16(4,5)6;1-15(2,3)13-18-14-7-9-17(10-8-14)11-12-19-16(4,5)6;1-13-12-17(14(2,3)4)9-8-16(13)10-11-18-15(5,6)7;1-14(2,3)17-9-7-8-16(10-11-17)12-13-18-15(4,5)6;1-13(2,3)15-11-9-7-8-10-12-16-14(4,5)6/h15-16H,9-14H2,1-8H3;7-15H2,1-6H3;13-14H,9-12H2,1-8H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;13H,8-12H2,1-7H3;7-13H2,1-6H3;11-12H2,1-6H3.
What are the key properties of 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine?
1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine has a molecular weight of 2146.56 g/mol, XLogP of 23.27, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[(2-methylpropan-2-yl)oxy]hexa-2,4-diyne;1-tert-butyl-2,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;2,6-dimethyl-1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-(3,3-dimethylbutyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-(2,2-dimethylpropoxy)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine is sourced from PubChem (CID 158032540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).