1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C177H357N21O — CID 167538409

IUPAC1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(C2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CN(C(C)(C)C)C2)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H36N2.C18H35N.C17H34N2.C16H33N3.2C16H32N2.C16H34N2.C16H33N.2C15H30N2.C14H28N2O/c1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-16(2,3)14-12-19(13-14)15-8-10-18(7,11-9-15)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;1-15(2,3)13-11-17(12-13)14-7-9-18(10-8-14)16(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-14(2,3)11-16-7-12-9-17(15(4,5)6)10-13(12)8-16;1-14(2,3)13-10-16(11-13)7-12-8-17(9-12)15(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12(17)14(4,5)6/h15-16H,7-14H2,1-6H3;14-15H,8-13H2,1-7H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3;7-11H2,1-6H3
InChIKeyAVUVDNILKACDNB-UHFFFAOYSA-N
MW2795.95 g/mol
LogP37.12
Rot. Bonds17

About 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 167538409) has the molecular formula C177H357N21O and a molecular weight of 2795.95 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID167538409
Molecular FormulaC177H357N21O
Molecular Weight2795.95 g/mol
Exact Mass2793.85
IUPAC Name1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(C2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CN(C(C)(C)C)C2)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H36N2.C18H35N.C17H34N2.C16H33N3.2C16H32N2.C16H34N2.C16H33N.2C15H30N2.C14H28N2O/c1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-16(2,3)14-12-19(13-14)15-8-10-18(7,11-9-15)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;1-15(2,3)13-11-17(12-13)14-7-9-18(10-8-14)16(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-14(2,3)11-16-7-12-9-17(15(4,5)6)10-13(12)8-16;1-14(2,3)13-10-16(11-13)7-12-8-17(9-12)15(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12(17)14(4,5)6/h15-16H,7-14H2,1-6H3;14-15H,8-13H2,1-7H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3;7-11H2,1-6H3
InChIKeyAVUVDNILKACDNB-UHFFFAOYSA-N
XLogP37.12
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002795.95
LogP ≤ 537.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-3-(2,2-dimethylpropyl)azetidine;8-tert-butyl-2-(2,2-dimethylpropyl)-2,8-diazaspiro[3.5]nonane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 161963130
1-Tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(5,5-dimethylhexyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 167549736
5-Tert-butyl-2-[(1-tert-butylazetidin-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 167626022
(3S)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(3S)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-3-(5,5-dimethylhexyl)azetidine;2-tert-butyl-6-(4,4-dimethylpentyl)-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;4-tert-butyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]piperidine;1,3-ditert-butylazetidine;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,9-ditert-butyl-2,9-diazaspiro[5.5]undecane
CID 167638332
(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine
CID 167676585

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 167538409) is 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C2CN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(C2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(C2CCN(C(C)(C)C)CC2)C1.CC(C)(C)C1CN(CC2CN(C(C)(C)C)C2)C1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2.CC(C)(C)N1CCN(CC2CN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AVUVDNILKACDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.C18H35N.C17H34N2.C16H33N3.2C16H32N2.C16H34N2.C16H33N.2C15H30N2.C14H28N2O/c1-17(2,3)15-7-11-19(12-8-15)16-9-13-20(14-10-16)18(4,5)6;1-16(2,3)14-12-19(13-14)15-8-10-18(7,11-9-15)17(4,5)6;1-15(2,3)18-11-7-17(8-12-18)9-13-19(14-10-17)16(4,5)6;1-15(2,3)18-9-7-17(8-10-18)11-14-12-19(13-14)16(4,5)6;1-15(2,3)13-11-17(12-13)14-7-9-18(10-8-14)16(4,5)6;1-15(2,3)13-7-9-17(10-8-13)14-11-18(12-14)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-14(2,3)11-16-7-12-9-17(15(4,5)6)10-13(12)8-16;1-14(2,3)13-10-16(11-13)7-12-8-17(9-12)15(4,5)6;1-13(2,3)11-15-7-9-16(10-8-15)12(17)14(4,5)6/h15-16H,7-14H2,1-6H3;14-15H,8-13H2,1-7H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*13-14H,7-12H2,1-6H3;7-14H2,1-6H3;14H,7-13H2,1-6H3;2*12-13H,7-11H2,1-6H3;7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2795.95 g/mol, XLogP of 37.12, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 167538409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).