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

C112H190N10O8 — CID 167704162

IUPACN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)
SMILESCC(C)(C)CCc1ccc(OC2CC(N)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(N)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.CC(C)C
InChIInChI=1S/C19H32N2O.2C19H31NO.C18H30N2O2.C15H24N2O.C14H22N2O2.2C4H10/c1-18(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;1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-15(2,3)7-6-11-4-5-14(17-10-11)18-13-8-12(16)9-13;1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12;2*1-4(2)3/h7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;4-5,10,12-13H,6-9,16H2,1-3H3;4-5,8,10,12H,6-7,9,15H2,1-3H3;2*4H,1-3H3
InChIKeyYVSYHQGKIWVLFE-UHFFFAOYSA-N
MW1804.81 g/mol
LogP25.94
Rot. Bonds26

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

N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane) (PubChem CID 167704162) has the molecular formula C112H190N10O8 and a molecular weight of 1804.81 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane).

Molecular Properties

Compound NameN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)
PubChem CID167704162
Molecular FormulaC112H190N10O8
Molecular Weight1804.81 g/mol
Exact Mass1803.48
IUPAC NameN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)
SMILESCC(C)(C)CCc1ccc(OC2CC(N)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(N)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.CC(C)C
InChIInChI=1S/C19H32N2O.2C19H31NO.C18H30N2O2.C15H24N2O.C14H22N2O2.2C4H10/c1-18(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;1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-15(2,3)7-6-11-4-5-14(17-10-11)18-13-8-12(16)9-13;1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12;2*1-4(2)3/h7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;4-5,10,12-13H,6-9,16H2,1-3H3;4-5,8,10,12H,6-7,9,15H2,1-3H3;2*4H,1-3H3
InChIKeyYVSYHQGKIWVLFE-UHFFFAOYSA-N
XLogP25.94
TPSA225.56 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.81
LogP ≤ 525.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)?
The IUPAC name of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane) (CID 167704162) is N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane).
What is the SMILES notation for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)?
The canonical SMILES for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane) is CC(C)(C)CCc1ccc(OC2CC(N)C2)nc1.CC(C)(C)CCc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)COc1ccc(OC2CC(N)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.CC(C)C.
What is the InChIKey of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)?
The InChIKey is YVSYHQGKIWVLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.2C19H31NO.C18H30N2O2.C15H24N2O.C14H22N2O2.2C4H10/c1-18(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;1-17(2,3)12-21-14-7-8-16(19-11-14)22-15-9-13(10-15)20-18(4,5)6;1-15(2,3)7-6-11-4-5-14(17-10-11)18-13-8-12(16)9-13;1-14(2,3)9-17-11-4-5-13(16-8-11)18-12-6-10(15)7-12;2*1-4(2)3/h7-8,13,15-16,21H,9-12H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;4-5,10,12-13H,6-9,16H2,1-3H3;4-5,8,10,12H,6-7,9,15H2,1-3H3;2*4H,1-3H3.
What are the key properties of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)?
N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane) has a molecular weight of 1804.81 g/mol, XLogP of 25.94, 26 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;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);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane) is sourced from PubChem (CID 167704162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).