N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane

C151H253N13O10 — CID 158356820

IUPACN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane
SMILESCC.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C20H33NO.2C19H32N2O.2C19H31NO.2C18H30N2O2.C17H28N2O.C2H6/c1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-18(2,3)13-14-7-9-16(10-8-14)21-17-11-15(12-17)20-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-2/h7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;1-2H3
InChIKeyGSZBDDRGZFOFLX-UHFFFAOYSA-N
MW2410.77 g/mol
LogP35.14
Rot. Bonds36

About N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane

N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane (PubChem CID 158356820) has the molecular formula C151H253N13O10 and a molecular weight of 2410.77 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane
PubChem CID158356820
Molecular FormulaC151H253N13O10
Molecular Weight2410.77 g/mol
Exact Mass2408.97
IUPAC NameN-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane
SMILESCC.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C20H33NO.2C19H32N2O.2C19H31NO.2C18H30N2O2.C17H28N2O.C2H6/c1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-18(2,3)13-14-7-9-16(10-8-14)21-17-11-15(12-17)20-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-2/h7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;1-2H3
InChIKeyGSZBDDRGZFOFLX-UHFFFAOYSA-N
XLogP35.14
TPSA252.99 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002410.77
LogP ≤ 535.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane?
The IUPAC name of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane (CID 158356820) is N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane.
What is the SMILES notation for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane?
The canonical SMILES for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane is CC.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)CCc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.
What is the InChIKey of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane?
The InChIKey is GSZBDDRGZFOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.2C19H32N2O.2C19H31NO.2C18H30N2O2.C17H28N2O.C2H6/c1-19(2,3)11-10-15-8-7-9-17(12-15)22-18-13-16(14-18)21-20(4,5)6;2*1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6;2*1-18(2,3)13-14-7-9-16(10-8-14)21-17-11-15(12-17)20-19(4,5)6;2*1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;1-2/h7-9,12,16,18,21H,10-11,13-14H2,1-6H3;2*7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;2*7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;1-2H3.
What are the key properties of N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane?
N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane has a molecular weight of 2410.77 g/mol, XLogP of 35.14, 36 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;N-tert-butyl-3-[3-(3,3-dimethylbutyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);ethane is sourced from PubChem (CID 158356820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).