1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine

C144H263N19O8 — CID 157448128

IUPAC1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESCC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C20H40N2O.C19H39N3.C19H31NO.C18H32N4O.C18H31N3O2.2C18H30N2O.C14H30N2O/c1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;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)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;2*1-17(2,3)11-13-7-8-16(19-12-13)21-15-9-14(10-15)20-18(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6/h17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;2*7-8,12,14-15,20H,9-11H2,1-6H3;12,15H,7-11H2,1-6H3/t;;;;;;;12-/m.......0/s1
InChIKeyBSLVURMUZPQQOF-YEQXWHBSSA-N
MW2388.81 g/mol
LogP27.57
Rot. Bonds35

About 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine

1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine (PubChem CID 157448128) has the molecular formula C144H263N19O8 and a molecular weight of 2388.81 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
PubChem CID157448128
Molecular FormulaC144H263N19O8
Molecular Weight2388.81 g/mol
Exact Mass2387.08
IUPAC Name1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
SMILESCC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1
InChIInChI=1S/C20H40N2O.C19H39N3.C19H31NO.C18H32N4O.C18H31N3O2.2C18H30N2O.C14H30N2O/c1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;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)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;2*1-17(2,3)11-13-7-8-16(19-12-13)21-15-9-14(10-15)20-18(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6/h17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;2*7-8,12,14-15,20H,9-11H2,1-6H3;12,15H,7-11H2,1-6H3/t;;;;;;;12-/m.......0/s1
InChIKeyBSLVURMUZPQQOF-YEQXWHBSSA-N
XLogP27.57
TPSA228.46 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002388.81
LogP ≤ 527.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine (CID 157448128) is 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine is CC(C)(C)CCCN1CC(CN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)cc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)Cc1ccc(OC2CC(NC(C)(C)C)C2)nc1.CC(C)(C)N[C@H]1CCN(CCOC(C)(C)C)C1.CC(C)(C)OCCN1CC(COc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)OCCN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
The InChIKey is BSLVURMUZPQQOF-YEQXWHBSSA-N. The full InChI is InChI=1S/C20H40N2O.C19H39N3.C19H31NO.C18H32N4O.C18H31N3O2.2C18H30N2O.C14H30N2O/c1-19(2,3)17-7-13-22(14-8-17)18-9-11-21(12-10-18)15-16-23-20(4,5)6;1-18(2,3)8-7-9-21-15-17(16-21)14-20-10-12-22(13-11-20)19(4,5)6;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)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)15-9-20-16(10-19-15)22-13-14-11-21(12-14)7-8-23-18(4,5)6;2*1-17(2,3)11-13-7-8-16(19-12-13)21-15-9-14(10-15)20-18(4,5)6;1-13(2,3)15-12-7-8-16(11-12)9-10-17-14(4,5)6/h17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;7-10,15,17,20H,11-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-10,14H,7-8,11-13H2,1-6H3;2*7-8,12,14-15,20H,9-11H2,1-6H3;12,15H,7-11H2,1-6H3/t;;;;;;;12-/m.......0/s1.
What are the key properties of 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine?
1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine has a molecular weight of 2388.81 g/mol, XLogP of 27.57, 35 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[5-(2,2-dimethylpropyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methoxy]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 157448128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).