(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane

C158H342N18O9 — CID 157308957

IUPAC(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1C2CCC1CN(CCOC(C)(C)C)C2.CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)CCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(C)OCCN1C2CCC1CN(CCC(C)(C)C)C2.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)[C@@H](C)C1.CC(C)OCCN1CCN(CCC(C)(C)C)[C@H](C)C1
InChIInChI=1S/C18H36N2O.3C17H34N2O.C17H36N2O.4C16H34N2O.8CH4/c1-17(2,3)9-10-20-15-7-8-16(20)14-19(13-15)11-12-21-18(4,5)6;2*1-16(2,3)7-8-18-12-15-11-14(18)13-19(15)9-10-20-17(4,5)6;1-14(2)20-11-10-19-15-6-7-16(19)13-18(12-15)9-8-17(3,4)5;1-16(2,3)8-7-9-18-10-12-19(13-11-18)14-15-20-17(4,5)6;2*1-14(2)19-12-11-17-9-10-18(15(3)13-17)8-7-16(4,5)6;2*1-14(2)19-12-11-18-10-9-17(13-15(18)3)8-7-16(4,5)6;;;;;;;;/h15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;14-16H,6-13H2,1-5H3;7-15H2,1-6H3;4*14-15H,7-13H2,1-6H3;8*1H4/t;2*14-,15-;;;4*15-;;;;;;;;/m.10..1010......../s1
InChIKeyBCUWZKQMRMQWOK-BRHFQBTFSA-N
MW2638.59 g/mol
LogP32.12
Rot. Bonds51

About (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane

(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane (PubChem CID 157308957) has the molecular formula C158H342N18O9 and a molecular weight of 2638.59 g/mol. Its IUPAC name is (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane.

Molecular Properties

Compound Name(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane
PubChem CID157308957
Molecular FormulaC158H342N18O9
Molecular Weight2638.59 g/mol
Exact Mass2636.69
IUPAC Name(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1C2CCC1CN(CCOC(C)(C)C)C2.CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)CCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(C)OCCN1C2CCC1CN(CCC(C)(C)C)C2.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)[C@@H](C)C1.CC(C)OCCN1CCN(CCC(C)(C)C)[C@H](C)C1
InChIInChI=1S/C18H36N2O.3C17H34N2O.C17H36N2O.4C16H34N2O.8CH4/c1-17(2,3)9-10-20-15-7-8-16(20)14-19(13-15)11-12-21-18(4,5)6;2*1-16(2,3)7-8-18-12-15-11-14(18)13-19(15)9-10-20-17(4,5)6;1-14(2)20-11-10-19-15-6-7-16(19)13-18(12-15)9-8-17(3,4)5;1-16(2,3)8-7-9-18-10-12-19(13-11-18)14-15-20-17(4,5)6;2*1-14(2)19-12-11-17-9-10-18(15(3)13-17)8-7-16(4,5)6;2*1-14(2)19-12-11-18-10-9-17(13-15(18)3)8-7-16(4,5)6;;;;;;;;/h15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;14-16H,6-13H2,1-5H3;7-15H2,1-6H3;4*14-15H,7-13H2,1-6H3;8*1H4/t;2*14-,15-;;;4*15-;;;;;;;;/m.10..1010......../s1
InChIKeyBCUWZKQMRMQWOK-BRHFQBTFSA-N
XLogP32.12
TPSA141.39 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds51
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002638.59
LogP ≤ 532.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane?
The IUPAC name of (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane (CID 157308957) is (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane.
What is the SMILES notation for (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane?
The canonical SMILES for (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane is C.C.C.C.C.C.C.C.CC(C)(C)CCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CCN1C2CCC1CN(CCOC(C)(C)C)C2.CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)CCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(C)OCCN1C2CCC1CN(CCC(C)(C)C)C2.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)C[C@H]1C.CC(C)OCCN1CCN(CCC(C)(C)C)[C@@H](C)C1.CC(C)OCCN1CCN(CCC(C)(C)C)[C@H](C)C1.
What is the InChIKey of (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane?
The InChIKey is BCUWZKQMRMQWOK-BRHFQBTFSA-N. The full InChI is InChI=1S/C18H36N2O.3C17H34N2O.C17H36N2O.4C16H34N2O.8CH4/c1-17(2,3)9-10-20-15-7-8-16(20)14-19(13-15)11-12-21-18(4,5)6;2*1-16(2,3)7-8-18-12-15-11-14(18)13-19(15)9-10-20-17(4,5)6;1-14(2)20-11-10-19-15-6-7-16(19)13-18(12-15)9-8-17(3,4)5;1-16(2,3)8-7-9-18-10-12-19(13-11-18)14-15-20-17(4,5)6;2*1-14(2)19-12-11-17-9-10-18(15(3)13-17)8-7-16(4,5)6;2*1-14(2)19-12-11-18-10-9-17(13-15(18)3)8-7-16(4,5)6;;;;;;;;/h15-16H,7-14H2,1-6H3;2*14-15H,7-13H2,1-6H3;14-16H,6-13H2,1-5H3;7-15H2,1-6H3;4*14-15H,7-13H2,1-6H3;8*1H4/t;2*14-,15-;;;4*15-;;;;;;;;/m.10..1010......../s1.
What are the key properties of (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane?
(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane has a molecular weight of 2638.59 g/mol, XLogP of 32.12, 51 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane is sourced from PubChem (CID 157308957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).