1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium

C243H430N14O6+14 — CID 161142414

IUPAC1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
SMILESCC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(CC2CCOCC2)CC1.CC(C)C1CCC(C[N+]2(C)CCCCC2)C1.CC(C)C1CCC(C[N+]2(C)CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[NH+]2CCOCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[N+]1(C)CCOCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[NH+]1CCOCC1.CC(C)CC[n+]1ccccc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(CC2CCOCC2)cc1.CC(C)c1ccc(C[N+]2(C)CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
InChIInChI=1S/C16H32N.C16H26N.C16H30.C16H24.C15H30N.C15H24N.C15H18N.C15H28O.C15H22O.C14H27N.C14H22N.C13H16NO.C13H25NO.C11H24N.C10H22NO.C10H21N.C10H16N.C9H19NO/c2*1-14(2)16-9-7-15(8-10-16)13-17(3)11-5-4-6-12-17;2*1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-13(2)15-8-7-14(11-15)12-16(3)9-5-4-6-10-16;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;2*1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;2*1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-11(2)13-4-3-12(9-13)10-14-5-7-15-8-6-14;1-11(2)7-10-12(3)8-5-4-6-9-12;1-10(2)4-5-11(3)6-8-12-9-7-11;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10/h14-16H,4-13H2,1-3H3;7-10,14H,4-6,11-13H2,1-3H3;13-16H,3-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;13-15H,4-12H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;12-15H,3-11H2,1-2H3;3-6,12,14H,7-11H2,1-2H3;12-14H,3-11H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;11-13H,3-10H2,1-2H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;9H,3-8H2,1-2H3/q2*+1;;;3*+1;;;;2*+1;;2*+1;;+1;/p+4
InChIKeyUNPUELNELOLZPJ-UHFFFAOYSA-R
MW3644.20 g/mol
LogP52.82
Rot. Bonds54

About 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium

1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (PubChem CID 161142414) has the molecular formula C243H430N14O6+14 and a molecular weight of 3644.20 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
PubChem CID161142414
Molecular FormulaC243H430N14O6+14
Molecular Weight3644.20 g/mol
Exact Mass3641.37
IUPAC Name1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
SMILESCC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(CC2CCOCC2)CC1.CC(C)C1CCC(C[N+]2(C)CCCCC2)C1.CC(C)C1CCC(C[N+]2(C)CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[NH+]2CCOCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[N+]1(C)CCOCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[NH+]1CCOCC1.CC(C)CC[n+]1ccccc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(CC2CCOCC2)cc1.CC(C)c1ccc(C[N+]2(C)CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
InChIInChI=1S/C16H32N.C16H26N.C16H30.C16H24.C15H30N.C15H24N.C15H18N.C15H28O.C15H22O.C14H27N.C14H22N.C13H16NO.C13H25NO.C11H24N.C10H22NO.C10H21N.C10H16N.C9H19NO/c2*1-14(2)16-9-7-15(8-10-16)13-17(3)11-5-4-6-12-17;2*1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-13(2)15-8-7-14(11-15)12-16(3)9-5-4-6-10-16;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;2*1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;2*1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-11(2)13-4-3-12(9-13)10-14-5-7-15-8-6-14;1-11(2)7-10-12(3)8-5-4-6-9-12;1-10(2)4-5-11(3)6-8-12-9-7-11;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10/h14-16H,4-13H2,1-3H3;7-10,14H,4-6,11-13H2,1-3H3;13-16H,3-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;13-15H,4-12H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;12-15H,3-11H2,1-2H3;3-6,12,14H,7-11H2,1-2H3;12-14H,3-11H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;11-13H,3-10H2,1-2H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;9H,3-8H2,1-2H3/q2*+1;;;3*+1;;;;2*+1;;2*+1;;+1;/p+4
InChIKeyUNPUELNELOLZPJ-UHFFFAOYSA-R
XLogP52.82
TPSA96.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds54
Heavy Atoms263
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003644.20
LogP ≤ 552.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (CID 161142414) is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is CC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(CC2CCOCC2)CC1.CC(C)C1CCC(C[N+]2(C)CCCCC2)C1.CC(C)C1CCC(C[N+]2(C)CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[NH+]2CCOCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[N+]1(C)CCOCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[NH+]1CCOCC1.CC(C)CC[n+]1ccccc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(CC2CCOCC2)cc1.CC(C)c1ccc(C[N+]2(C)CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The InChIKey is UNPUELNELOLZPJ-UHFFFAOYSA-R. The full InChI is InChI=1S/C16H32N.C16H26N.C16H30.C16H24.C15H30N.C15H24N.C15H18N.C15H28O.C15H22O.C14H27N.C14H22N.C13H16NO.C13H25NO.C11H24N.C10H22NO.C10H21N.C10H16N.C9H19NO/c2*1-14(2)16-9-7-15(8-10-16)13-17(3)11-5-4-6-12-17;2*1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-13(2)15-8-7-14(11-15)12-16(3)9-5-4-6-10-16;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;2*1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;2*1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-11(2)13-4-3-12(9-13)10-14-5-7-15-8-6-14;1-11(2)7-10-12(3)8-5-4-6-9-12;1-10(2)4-5-11(3)6-8-12-9-7-11;2*1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)3-4-10-5-7-11-8-6-10/h14-16H,4-13H2,1-3H3;7-10,14H,4-6,11-13H2,1-3H3;13-16H,3-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;13-15H,4-12H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;12-15H,3-11H2,1-2H3;3-6,12,14H,7-11H2,1-2H3;12-14H,3-11H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;11-13H,3-10H2,1-2H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;9H,3-8H2,1-2H3/q2*+1;;;3*+1;;;;2*+1;;2*+1;;+1;/p+4.
What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium has a molecular weight of 3644.20 g/mol, XLogP of 52.82, 54 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;4-(3-methylbutyl)morpholin-4-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;4-methyl-4-(3-methylbutyl)morpholin-4-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;1-methyl-1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium;4-[(4-propan-2-ylcyclohexyl)methyl]oxane;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;4-[(3-propan-2-ylcyclopentyl)methyl]morpholin-4-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;4-[(4-propan-2-ylphenyl)methyl]oxane;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 161142414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).