N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

C133H236F2N18O8 — CID 167672946

IUPACN-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1.CC(C)(C)COc1ccc(N2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1
InChIInChI=1S/C19H39NO3.C18H30N2O2.C17H29N3O.C17H29N3.C16H27N3O.2C16H27N3.C14H28F2O/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6;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)12-21-14-7-8-15(18-9-14)20-10-13(11-20)19-17(4,5)6;1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6;1-15(2,3)12-7-8-14(17-9-12)19-10-13(11-19)18-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h16-17,20H,7-15H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13,19H,10-12H2,1-6H3;7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;2*7-9,13,18H,10-11H2,1-6H3;7-11H2,1-6H3
InChIKeyUJWSUHDYAIXYOD-UHFFFAOYSA-N
MW2253.46 g/mol
LogP28.04
Rot. Bonds35

About N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 167672946) has the molecular formula C133H236F2N18O8 and a molecular weight of 2253.46 g/mol. Its IUPAC name is N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound NameN-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
PubChem CID167672946
Molecular FormulaC133H236F2N18O8
Molecular Weight2253.46 g/mol
Exact Mass2251.86
IUPAC NameN-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
SMILESCC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1.CC(C)(C)COc1ccc(N2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1
InChIInChI=1S/C19H39NO3.C18H30N2O2.C17H29N3O.C17H29N3.C16H27N3O.2C16H27N3.C14H28F2O/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6;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)12-21-14-7-8-15(18-9-14)20-10-13(11-20)19-17(4,5)6;1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6;1-15(2,3)12-7-8-14(17-9-12)19-10-13(11-19)18-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h16-17,20H,7-15H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13,19H,10-12H2,1-6H3;7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;2*7-9,13,18H,10-11H2,1-6H3;7-11H2,1-6H3
InChIKeyUJWSUHDYAIXYOD-UHFFFAOYSA-N
XLogP28.04
TPSA261.24 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002253.46
LogP ≤ 528.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The IUPAC name of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (CID 167672946) is N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.
What is the SMILES notation for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The canonical SMILES for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)COCCOC1CC(OCCCCNC(C)(C)C)C1.CC(C)(C)COc1ccc(N2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1.
What is the InChIKey of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
The InChIKey is UJWSUHDYAIXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO3.C18H30N2O2.C17H29N3O.C17H29N3.C16H27N3O.2C16H27N3.C14H28F2O/c1-18(2,3)15-21-11-12-23-17-13-16(14-17)22-10-8-7-9-20-19(4,5)6;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)12-21-14-7-8-15(18-9-14)20-10-13(11-20)19-17(4,5)6;1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6;1-15(2,3)12-7-8-14(17-9-12)19-10-13(11-19)18-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h16-17,20H,7-15H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;7-9,13,19H,10-12H2,1-6H3;7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;2*7-9,13,18H,10-11H2,1-6H3;7-11H2,1-6H3.
What are the key properties of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?
N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 2253.46 g/mol, XLogP of 28.04, 35 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;N-tert-butyl-4-[3-[2-(2,2-dimethylpropoxy)ethoxy]cyclobutyl]oxybutan-1-amine;N-tert-butyl-1-[5-(2,2-dimethylpropoxy)-2-pyridinyl]azetidin-3-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 167672946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).