N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine

C244H526N12O32S — CID 163685883

IUPACN-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CC(=O)CCOCCCCOC(C)(C)C.CC(C)(C)CCCCCCCCNC(C)(C)C.CC(C)(C)CCCCCCNC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CCCC(C)(C)C.CC(C)(C)COCCCCNC(C)(C)C.CC(C)(C)COCCCNC(C)(C)C.CC(C)(C)COCCCOCCCCCNC(C)(C)C.CC(C)(C)COCCCOCCCNC(C)(C)C.CC(C)(C)COCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCNC(C)(C)C.CC(C)(C)COCCCSCCNC(C)(C)C.CC(C)(C)COCCOCCOCCCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C18H36O2.C17H37NO4.C17H37NO3.C17H37NO2.C16H35N.C16H32O3.C16H32O2.2C15H33NO3.C15H33NO2.C15H32O3.C14H31NO2.C14H31NOS.C14H31N.C13H29NO.C12H27NO/c1-17(2,3)12-7-8-14-20-15-11-16(19)10-9-13-18(4,5)6;1-16(2,3)15-22-14-13-21-12-11-20-10-9-19-8-7-18-17(4,5)6;1-16(2,3)15-21-14-13-20-12-11-19-10-8-7-9-18-17(4,5)6;1-16(2,3)15-20-14-10-13-19-12-9-7-8-11-18-17(4,5)6;1-15(2,3)13-11-9-7-8-10-12-14-17-16(4,5)6;1-15(2,3)13-14(17)9-12-18-10-7-8-11-19-16(4,5)6;1-15(2,3)10-7-8-11-18-12-9-14(17)13-16(4,5)6;2*1-14(2,3)13-19-12-11-18-10-9-17-8-7-16-15(4,5)6;1-14(2,3)13-18-12-8-11-17-10-7-9-16-15(4,5)6;1-14(2,3)13-17-11-7-9-16-10-8-12-18-15(4,5)6;1-13(2,3)12-17-10-7-9-16-11-8-15-14(4,5)6;1-13(2,3)12-16-9-7-10-17-11-8-15-14(4,5)6;1-13(2,3)11-9-7-8-10-12-15-14(4,5)6;1-12(2,3)11-15-10-8-7-9-14-13(4,5)6;1-11(2,3)10-14-9-7-8-13-12(4,5)6/h7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;17H,7-14H2,1-6H3;7-13H2,1-6H3;7-13H2,1-6H3;2*16H,7-13H2,1-6H3;16H,7-13H2,1-6H3;7-13H2,1-6H3;2*15H,7-12H2,1-6H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;13H,7-10H2,1-6H3
InChIKeyJOVSYSCJUXOIAA-UHFFFAOYSA-N
MW4173.01 g/mol
LogP57.56
Rot. Bonds142

About N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine

N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine (PubChem CID 163685883) has the molecular formula C244H526N12O32S and a molecular weight of 4173.01 g/mol. Its IUPAC name is N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine
PubChem CID163685883
Molecular FormulaC244H526N12O32S
Molecular Weight4173.01 g/mol
Exact Mass4169.96
IUPAC NameN-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CC(=O)CCOCCCCOC(C)(C)C.CC(C)(C)CCCCCCCCNC(C)(C)C.CC(C)(C)CCCCCCNC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CCCC(C)(C)C.CC(C)(C)COCCCCNC(C)(C)C.CC(C)(C)COCCCNC(C)(C)C.CC(C)(C)COCCCOCCCCCNC(C)(C)C.CC(C)(C)COCCCOCCCNC(C)(C)C.CC(C)(C)COCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCNC(C)(C)C.CC(C)(C)COCCCSCCNC(C)(C)C.CC(C)(C)COCCOCCOCCCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCOCCNC(C)(C)C
InChIInChI=1S/C18H36O2.C17H37NO4.C17H37NO3.C17H37NO2.C16H35N.C16H32O3.C16H32O2.2C15H33NO3.C15H33NO2.C15H32O3.C14H31NO2.C14H31NOS.C14H31N.C13H29NO.C12H27NO/c1-17(2,3)12-7-8-14-20-15-11-16(19)10-9-13-18(4,5)6;1-16(2,3)15-22-14-13-21-12-11-20-10-9-19-8-7-18-17(4,5)6;1-16(2,3)15-21-14-13-20-12-11-19-10-8-7-9-18-17(4,5)6;1-16(2,3)15-20-14-10-13-19-12-9-7-8-11-18-17(4,5)6;1-15(2,3)13-11-9-7-8-10-12-14-17-16(4,5)6;1-15(2,3)13-14(17)9-12-18-10-7-8-11-19-16(4,5)6;1-15(2,3)10-7-8-11-18-12-9-14(17)13-16(4,5)6;2*1-14(2,3)13-19-12-11-18-10-9-17-8-7-16-15(4,5)6;1-14(2,3)13-18-12-8-11-17-10-7-9-16-15(4,5)6;1-14(2,3)13-17-11-7-9-16-10-8-12-18-15(4,5)6;1-13(2,3)12-17-10-7-9-16-11-8-15-14(4,5)6;1-13(2,3)12-16-9-7-10-17-11-8-15-14(4,5)6;1-13(2,3)11-9-7-8-10-12-15-14(4,5)6;1-12(2,3)11-15-10-8-7-9-14-13(4,5)6;1-11(2,3)10-14-9-7-8-13-12(4,5)6/h7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;17H,7-14H2,1-6H3;7-13H2,1-6H3;7-13H2,1-6H3;2*16H,7-13H2,1-6H3;16H,7-13H2,1-6H3;7-13H2,1-6H3;2*15H,7-12H2,1-6H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;13H,7-10H2,1-6H3
InChIKeyJOVSYSCJUXOIAA-UHFFFAOYSA-N
XLogP57.56
TPSA463.24 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds142
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004173.01
LogP ≤ 557.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine (CID 163685883) is N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)CC(=O)CCOCCCCOC(C)(C)C.CC(C)(C)CCCCCCCCNC(C)(C)C.CC(C)(C)CCCCCCNC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CC(C)(C)C.CC(C)(C)CCCCOCCC(=O)CCCC(C)(C)C.CC(C)(C)COCCCCNC(C)(C)C.CC(C)(C)COCCCNC(C)(C)C.CC(C)(C)COCCCOCCCCCNC(C)(C)C.CC(C)(C)COCCCOCCCNC(C)(C)C.CC(C)(C)COCCCOCCCOC(C)(C)C.CC(C)(C)COCCCOCCNC(C)(C)C.CC(C)(C)COCCCSCCNC(C)(C)C.CC(C)(C)COCCOCCOCCCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCNC(C)(C)C.CC(C)(C)COCCOCCOCCOCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is JOVSYSCJUXOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C17H37NO4.C17H37NO3.C17H37NO2.C16H35N.C16H32O3.C16H32O2.2C15H33NO3.C15H33NO2.C15H32O3.C14H31NO2.C14H31NOS.C14H31N.C13H29NO.C12H27NO/c1-17(2,3)12-7-8-14-20-15-11-16(19)10-9-13-18(4,5)6;1-16(2,3)15-22-14-13-21-12-11-20-10-9-19-8-7-18-17(4,5)6;1-16(2,3)15-21-14-13-20-12-11-19-10-8-7-9-18-17(4,5)6;1-16(2,3)15-20-14-10-13-19-12-9-7-8-11-18-17(4,5)6;1-15(2,3)13-11-9-7-8-10-12-14-17-16(4,5)6;1-15(2,3)13-14(17)9-12-18-10-7-8-11-19-16(4,5)6;1-15(2,3)10-7-8-11-18-12-9-14(17)13-16(4,5)6;2*1-14(2,3)13-19-12-11-18-10-9-17-8-7-16-15(4,5)6;1-14(2,3)13-18-12-8-11-17-10-7-9-16-15(4,5)6;1-14(2,3)13-17-11-7-9-16-10-8-12-18-15(4,5)6;1-13(2,3)12-17-10-7-9-16-11-8-15-14(4,5)6;1-13(2,3)12-16-9-7-10-17-11-8-15-14(4,5)6;1-13(2,3)11-9-7-8-10-12-15-14(4,5)6;1-12(2,3)11-15-10-8-7-9-14-13(4,5)6;1-11(2,3)10-14-9-7-8-13-12(4,5)6/h7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;18H,7-15H2,1-6H3;17H,7-14H2,1-6H3;7-13H2,1-6H3;7-13H2,1-6H3;2*16H,7-13H2,1-6H3;16H,7-13H2,1-6H3;7-13H2,1-6H3;2*15H,7-12H2,1-6H3;15H,7-12H2,1-6H3;14H,7-11H2,1-6H3;13H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine?
N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 4173.01 g/mol, XLogP of 57.56, 142 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9,9-dimethyldecan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4-(2,2-dimethylpropoxy)butan-1-amine;N-tert-butyl-4-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]butan-1-amine;N-tert-butyl-5-[3-(2,2-dimethylpropoxy)propoxy]pentan-1-amine;1-(5,5-dimethylhexoxy)-5,5-dimethylhexan-3-one;1-(5,5-dimethylhexoxy)-7,7-dimethyloctan-3-one;5,5-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]hexan-3-one;2,2-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propane;N-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;bis(N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine);N-[2-[3-(2,2-dimethylpropoxy)propoxy]ethyl]-2-methylpropan-2-amine;N-[3-[3-(2,2-dimethylpropoxy)propoxy]propyl]-2-methylpropan-2-amine;N-[3-(2,2-dimethylpropoxy)propyl]-2-methylpropan-2-amine;N-[2-[3-(2,2-dimethylpropoxy)propylsulfanyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 163685883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).