bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane

C183H316F2N12O13 — CID 159038700

IUPACbis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane
SMILESCC.CC.CC.CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(OC(C)(C)C)c2)C1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C19H32N2O.C19H31NO2.C18H30N2O2.C18H29NO2.2C18H29NO.2C17H29NO.C14H28F2O.3C2H6/c2*1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-17(2,3)12-21-14-7-8-19-16(11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)19-13-10-16(11-13)20-14-8-7-9-15(12-14)21-18(4,5)6;2*1-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;2*1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;3*1-2/h2*8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,12-13,16,19H,10-11H2,1-6H3;2*7-10,14,16,19H,11-12H2,1-6H3;2*8-11,13,18H,12H2,1-7H3;7-11H2,1-6H3;3*1-2H3/t;;;;;;;2*13-;;;;/m.......10..../s1
InChIKeyJVTSQPDOHWLCLK-YDNLOTCQSA-N
MW2930.61 g/mol
LogP46.06
Rot. Bonds44

About bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane

bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane (PubChem CID 159038700) has the molecular formula C183H316F2N12O13 and a molecular weight of 2930.61 g/mol. Its IUPAC name is bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane.

Molecular Properties

Compound Namebis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane
PubChem CID159038700
Molecular FormulaC183H316F2N12O13
Molecular Weight2930.61 g/mol
Exact Mass2928.44
IUPAC Namebis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane
SMILESCC.CC.CC.CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(OC(C)(C)C)c2)C1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/2C19H32N2O.C19H31NO2.C18H30N2O2.C18H29NO2.2C18H29NO.2C17H29NO.C14H28F2O.3C2H6/c2*1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-17(2,3)12-21-14-7-8-19-16(11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)19-13-10-16(11-13)20-14-8-7-9-15(12-14)21-18(4,5)6;2*1-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;2*1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;3*1-2/h2*8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,12-13,16,19H,10-11H2,1-6H3;2*7-10,14,16,19H,11-12H2,1-6H3;2*8-11,13,18H,12H2,1-7H3;7-11H2,1-6H3;3*1-2H3/t;;;;;;;2*13-;;;;/m.......10..../s1
InChIKeyJVTSQPDOHWLCLK-YDNLOTCQSA-N
XLogP46.06
TPSA266.93 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002930.61
LogP ≤ 546.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane?
The IUPAC name of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane (CID 159038700) is bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane.
What is the SMILES notation for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane?
The canonical SMILES for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane is CC.CC.CC.CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(OC(C)(C)C)c2)C1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane?
The InChIKey is JVTSQPDOHWLCLK-YDNLOTCQSA-N. The full InChI is InChI=1S/2C19H32N2O.C19H31NO2.C18H30N2O2.C18H29NO2.2C18H29NO.2C17H29NO.C14H28F2O.3C2H6/c2*1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;1-17(2,3)12-21-14-7-8-19-16(11-14)22-15-9-13(10-15)20-18(4,5)6;1-17(2,3)19-13-10-16(11-13)20-14-8-7-9-15(12-14)21-18(4,5)6;2*1-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;2*1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6;3*1-2/h2*8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-9,12,14,17,20H,10-11,13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,12-13,16,19H,10-11H2,1-6H3;2*7-10,14,16,19H,11-12H2,1-6H3;2*8-11,13,18H,12H2,1-7H3;7-11H2,1-6H3;3*1-2H3/t;;;;;;;2*13-;;;;/m.......10..../s1.
What are the key properties of bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane?
bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane has a molecular weight of 2930.61 g/mol, XLogP of 46.06, 44 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine;N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane;ethane is sourced from PubChem (CID 159038700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).