3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine

C223H468F3N21O4 — CID 158762746

IUPAC3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCC(C)(C)C(C)(C)CN1CCOCC1.CC(C)(C)CC(C)(C)N1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCN(CC(F)(F)F)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCCN1CCCCC1.CC(CN(C)C)C(C)(C)C.CC1CC(C)CN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CN(CCC(C)(C)C)CC(C)O1.CN(C)CCC(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C1.CN1CCCC1CCC(C)(C)C.CN1CCCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.C[C@@H]1CN(CCC(C)(C)C)C[C@H](C)O1.C[C@H]1CN(CCC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/2C13H27N.C12H22F3N.C12H26N2.4C12H25NO.3C12H25N.C11H24N2.3C11H23N.C11H22.C9H19N.C9H21N.C8H17N.C8H19N/c1-11-8-12(2)10-14(9-11)7-6-13(3,4)5;1-12(2,3)11-13(4,5)14-9-7-6-8-10-14;1-11(2,3)8-10-4-6-16(7-5-10)9-12(13,14)15;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-11(2,3)12(4,5)10-13-6-8-14-9-7-13;3*1-10-8-13(9-11(2)14-10)7-6-12(3,4)5;2*1-11-6-5-8-13(10-11)9-7-12(2,3)4;1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-5-9-12(10)4;1-11(2,3)9-10-7-5-6-8-12(10)4;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8-5-6-10(4)7-8;1-8(7-10(5)6)9(2,3)4;1-8(2,3)7-5-9(4)6-7;1-8(2,3)6-7-9(4)5/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-11H2,1-4H3;6-10H2,1-5H3;3*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;4-11H2,1-3H3;5-10H2,1-4H3;10,12H,4-9H2,1-3H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,7H2,1-6H3;7H,5-6H2,1-4H3;6-7H2,1-5H3/t;;;;;10-,11+;10-,11-;;;;;;;;;;;;;/m......0............./s1
InChIKeyIOWMNGAUVLQXQD-XFFNJRJLSA-N
MW3565.33 g/mol
LogP54.53
Rot. Bonds36

About 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine

3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine (PubChem CID 158762746) has the molecular formula C223H468F3N21O4 and a molecular weight of 3565.33 g/mol. Its IUPAC name is 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine
PubChem CID158762746
Molecular FormulaC223H468F3N21O4
Molecular Weight3565.33 g/mol
Exact Mass3562.70
IUPAC Name3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCC(C)(C)C(C)(C)CN1CCOCC1.CC(C)(C)CC(C)(C)N1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCN(CC(F)(F)F)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCCN1CCCCC1.CC(CN(C)C)C(C)(C)C.CC1CC(C)CN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CN(CCC(C)(C)C)CC(C)O1.CN(C)CCC(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C1.CN1CCCC1CCC(C)(C)C.CN1CCCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.C[C@@H]1CN(CCC(C)(C)C)C[C@H](C)O1.C[C@H]1CN(CCC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/2C13H27N.C12H22F3N.C12H26N2.4C12H25NO.3C12H25N.C11H24N2.3C11H23N.C11H22.C9H19N.C9H21N.C8H17N.C8H19N/c1-11-8-12(2)10-14(9-11)7-6-13(3,4)5;1-12(2,3)11-13(4,5)14-9-7-6-8-10-14;1-11(2,3)8-10-4-6-16(7-5-10)9-12(13,14)15;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-11(2,3)12(4,5)10-13-6-8-14-9-7-13;3*1-10-8-13(9-11(2)14-10)7-6-12(3,4)5;2*1-11-6-5-8-13(10-11)9-7-12(2,3)4;1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-5-9-12(10)4;1-11(2,3)9-10-7-5-6-8-12(10)4;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8-5-6-10(4)7-8;1-8(7-10(5)6)9(2,3)4;1-8(2,3)7-5-9(4)6-7;1-8(2,3)6-7-9(4)5/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-11H2,1-4H3;6-10H2,1-5H3;3*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;4-11H2,1-3H3;5-10H2,1-4H3;10,12H,4-9H2,1-3H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,7H2,1-6H3;7H,5-6H2,1-4H3;6-7H2,1-5H3/t;;;;;10-,11+;10-,11-;;;;;;;;;;;;;/m......0............./s1
InChIKeyIOWMNGAUVLQXQD-XFFNJRJLSA-N
XLogP54.53
TPSA113.75 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003565.33
LogP ≤ 554.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine?
The IUPAC name of 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine (CID 158762746) is 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine is CC(C)(C)C(C)(C)CN1CCOCC1.CC(C)(C)CC(C)(C)N1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCN(CC(F)(F)F)CC1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCCN1CCCCC1.CC(CN(C)C)C(C)(C)C.CC1CC(C)CN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CCCN(CCC(C)(C)C)C1.CC1CN(CCC(C)(C)C)CC(C)O1.CN(C)CCC(C)(C)C.CN1CC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)C1.CN1CCCC1CCC(C)(C)C.CN1CCCCC1CC(C)(C)C.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCCC(C)(C)C)CC1.C[C@@H]1CN(CCC(C)(C)C)C[C@H](C)O1.C[C@H]1CN(CCC(C)(C)C)C[C@H](C)O1.
What is the InChIKey of 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine?
The InChIKey is IOWMNGAUVLQXQD-XFFNJRJLSA-N. The full InChI is InChI=1S/2C13H27N.C12H22F3N.C12H26N2.4C12H25NO.3C12H25N.C11H24N2.3C11H23N.C11H22.C9H19N.C9H21N.C8H17N.C8H19N/c1-11-8-12(2)10-14(9-11)7-6-13(3,4)5;1-12(2,3)11-13(4,5)14-9-7-6-8-10-14;1-11(2,3)8-10-4-6-16(7-5-10)9-12(13,14)15;1-12(2,3)6-5-7-14-10-8-13(4)9-11-14;1-11(2,3)12(4,5)10-13-6-8-14-9-7-13;3*1-10-8-13(9-11(2)14-10)7-6-12(3,4)5;2*1-11-6-5-8-13(10-11)9-7-12(2,3)4;1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-5-9-12(10)4;1-11(2,3)9-10-7-5-6-8-12(10)4;1-11(2,3)9-10-7-5-4-6-8-10;1-9(2,3)8-5-6-10(4)7-8;1-8(7-10(5)6)9(2,3)4;1-8(2,3)7-5-9(4)6-7;1-8(2,3)6-7-9(4)5/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-11H2,1-4H3;6-10H2,1-5H3;3*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;4-11H2,1-3H3;5-10H2,1-4H3;10,12H,4-9H2,1-3H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,5-7H2,1-4H3;8H,7H2,1-6H3;7H,5-6H2,1-4H3;6-7H2,1-5H3/t;;;;;10-,11+;10-,11-;;;;;;;;;;;;;/m......0............./s1.
What are the key properties of 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine?
3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine has a molecular weight of 3565.33 g/mol, XLogP of 54.53, 36 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylazetidine;3-tert-butyl-1-methylpyrrolidine;(2R,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;(2S,6S)-4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;1-(3,3-dimethylbutyl)-3,5-dimethylpiperidine;1-(3,3-dimethylbutyl)-4-methylpiperazine;bis(1-(3,3-dimethylbutyl)-3-methylpiperidine);2-(3,3-dimethylbutyl)-1-methylpyrrolidine;4-(3,3-dimethylbutyl)piperidine;1-(4,4-dimethylpentyl)-4-methylpiperazine;1-(4,4-dimethylpentyl)piperidine;2,2-dimethylpropylcyclohexane;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)-1-(2,2,2-trifluoroethyl)piperidine;N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;4-(2,2,3,3-tetramethylbutyl)morpholine;1-(2,4,4-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 158762746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).