1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol

C238H470F3N13O20 — CID 162276361

IUPAC1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESC=C1CC(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1C=COCC1.CC(C)C1CCC(=O)CC1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)CC1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCC2(CCO2)CC1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCCC1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCOC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCCC(C(C)C)C1
InChIInChI=1S/C11H20O.C10H17F3O.C10H19NO.C10H19N.3C10H20O.C10H20.C9H18N2O.C9H18N2.3C9H18O.C9H16O.C9H18O.C9H18.C8H18N2.C8H15NO.C8H17NO.2C8H17N.C8H14O.2C8H16O.C7H15NO.2C7H14O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11;1-7(2)8-3-5-9(14,6-4-8)10(11,12)13;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)10-5-6-11(4)9(3)7-10;1-8(2)9-4-6-10(3,11)7-5-9;2*1-8(2)9-5-4-6-10(3,11)7-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-10(4)9(3)7-11;2*1-7(2)8-4-5-9(3,10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-9(5-8)7(3)10;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-10H,3-8H2,1-2H3;7-8,14H,3-6H2,1-2H3;8,10H,4-7H2,1-3H3;8,10H,3,5-7H2,1-2,4H3;3*8-9,11H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3,5-7H2,1-2,4H3;2*7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;6,8H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3
InChIKeyKENLSDLFSPPAQL-UHFFFAOYSA-N
MW3891.44 g/mol
LogP54.93
Rot. Bonds27

About 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol

1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 162276361) has the molecular formula C238H470F3N13O20 and a molecular weight of 3891.44 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID162276361
Molecular FormulaC238H470F3N13O20
Molecular Weight3891.44 g/mol
Exact Mass3888.61
IUPAC Name1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol
SMILESC=C1CC(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1C=COCC1.CC(C)C1CCC(=O)CC1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)CC1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCC2(CCO2)CC1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCCC1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCOC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCCC(C(C)C)C1
InChIInChI=1S/C11H20O.C10H17F3O.C10H19NO.C10H19N.3C10H20O.C10H20.C9H18N2O.C9H18N2.3C9H18O.C9H16O.C9H18O.C9H18.C8H18N2.C8H15NO.C8H17NO.2C8H17N.C8H14O.2C8H16O.C7H15NO.2C7H14O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11;1-7(2)8-3-5-9(14,6-4-8)10(11,12)13;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)10-5-6-11(4)9(3)7-10;1-8(2)9-4-6-10(3,11)7-5-9;2*1-8(2)9-5-4-6-10(3,11)7-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-10(4)9(3)7-11;2*1-7(2)8-4-5-9(3,10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-9(5-8)7(3)10;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-10H,3-8H2,1-2H3;7-8,14H,3-6H2,1-2H3;8,10H,4-7H2,1-3H3;8,10H,3,5-7H2,1-2,4H3;3*8-9,11H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3,5-7H2,1-2,4H3;2*7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;6,8H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3
InChIKeyKENLSDLFSPPAQL-UHFFFAOYSA-N
XLogP54.93
TPSA357.08 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003891.44
LogP ≤ 554.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol (CID 162276361) is 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol is C=C1CC(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C.CC(=O)N1CC(C(C)C)C1.CC(=O)N1CCCCC1C(C)C.CC(=O)N1CCN(C(C)C)CC1.CC(C)C1C=COCC1.CC(C)C1CCC(=O)CC1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)C1.CC(C)C1CCC(C)(O)CC1.CC(C)C1CCC(O)(C(F)(F)F)CC1.CC(C)C1CCC(O)C1.CC(C)C1CCC(O)CC1.CC(C)C1CCC2(CCO2)CC1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCC(C)(O)C1.CC(C)C1CCCCC1.CC(C)C1CCCO1.CC(C)C1CCCOC1.CC(C)C1CCCOCC1.CC(C)C1CCOC1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC1CCCC(C(C)C)C1.
What is the InChIKey of 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KENLSDLFSPPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.C10H17F3O.C10H19NO.C10H19N.3C10H20O.C10H20.C9H18N2O.C9H18N2.3C9H18O.C9H16O.C9H18O.C9H18.C8H18N2.C8H15NO.C8H17NO.2C8H17N.C8H14O.2C8H16O.C7H15NO.2C7H14O/c1-9(2)10-3-5-11(6-4-10)7-8-12-11;1-7(2)8-3-5-9(14,6-4-8)10(11,12)13;1-8(2)10-6-4-5-7-11(10)9(3)12;1-8(2)10-5-6-11(4)9(3)7-10;1-8(2)9-4-6-10(3,11)7-5-9;2*1-8(2)9-5-4-6-10(3,11)7-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-10(4)9(3)7-11;2*1-7(2)8-4-5-9(3,10)6-8;2*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-4-3-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-9(5-8)7(3)10;1-7(2)9-5-3-8(10)4-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8(9)5-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7/h9-10H,3-8H2,1-2H3;7-8,14H,3-6H2,1-2H3;8,10H,4-7H2,1-3H3;8,10H,3,5-7H2,1-2,4H3;3*8-9,11H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3,5-7H2,1-2,4H3;2*7-8,10H,4-6H2,1-3H3;7-10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;6,8H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;6-9H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3.
What are the key properties of 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol?
1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 3891.44 g/mol, XLogP of 54.93, 27 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-2-methylidene-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylcyclohexane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);1-methyl-4-propan-2-ylcyclohexan-1-ol;bis(1-methyl-3-propan-2-ylcyclopentan-1-ol);1-methyl-4-propan-2-ylpiperazine;1-(3-propan-2-ylazetidin-1-yl)ethanone;propan-2-ylcyclohexane;4-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;3-propan-2-ylcyclopentan-1-ol;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-ylmorpholine;3-propan-2-yloxane;7-propan-2-yl-1-oxaspiro[3.5]nonane;4-propan-2-yloxepane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-ol;1-(2-propan-2-ylpiperidin-1-yl)ethanone;4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 162276361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).