N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane

C261H573FN32O6 — CID 160584610

IUPACN,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane
SMILESCC(=O)N1CCN(CCC(C)C)CC1.CC(C)C(C)(C)C.CC(C)C(C)(C)CN(C)C.CC(C)C(C)(C)N(C)C.CC(C)C(C)C.CC(C)C(C)CN(C)C.CC(C)C(C)N(C)C.CC(C)CCN(C)C.CC(C)CCN1CCC(F)CC1.CC(C)CCN1CCC(O)CC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN2CCCCC2C1.CC(C)CCN1CCOCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCN1CCN(CCC(C)C)CC1.CCOC1CCN(CCC(C)C)CC1.CNC(=O)C1CCN(CCC(C)C)CC1.CNC(C)(C)C(C)C.CNC(C)C(C)C.CNCCC(C)C.COC1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2.C12H24N2O.C12H26N2.C12H25NO.C11H22N2O.2C11H24N2.C11H23NO.C10H20FN.C10H22N2.C10H21NO.C10H21N.C9H20N2.C9H19NO.2C9H19N.C9H21N.2C8H19N.C8H18.3C7H17N.2C7H16.2C6H15N.2C6H14/c1-12(2)6-8-14-9-10-15-7-4-3-5-13(15)11-14;1-10(2)4-7-14-8-5-11(6-9-14)12(15)13-3;1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-14-12-6-9-13(10-7-12)8-5-11(2)3;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-4-12-7-9-13(10-8-12)6-5-11(2)3;1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-9(2)3-6-12-7-4-10(11)5-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-6-11-7-4-10(12)5-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9(3,4)7-10(5)6;1-7(2)8(3)6-9(4)5;1-7(2)8(3,4)9(5)6;1-6-8(4,5)7(2)3;1-7(2)5-6-8(3)4;1-6(2)7(3)8(4)5;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-6(2)4-5-7-3;1-5(2)6(3)7-4;1-5(2)6(3)4;1-4-5-6(2)3/h12-13H,3-11H2,1-2H3;10-11H,4-9H2,1-3H3,(H,13,15);11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9-10,12H,3-8H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,7H2,1-6H3;7-8H,6H2,1-5H3;7H,1-6H3;7H,6H2,1-5H3;7H,5-6H2,1-4H3;6-7H,1-5H3;6,8H,1-5H3;6H,1-5H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3
InChIKeyRCFQHGMSSLADAT-UHFFFAOYSA-N
MW4275.67 g/mol
LogP55.81
Rot. Bonds78

About N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane

N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane (PubChem CID 160584610) has the molecular formula C261H573FN32O6 and a molecular weight of 4275.67 g/mol. Its IUPAC name is N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane.

Molecular Properties

Compound NameN,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane
PubChem CID160584610
Molecular FormulaC261H573FN32O6
Molecular Weight4275.67 g/mol
Exact Mass4272.55
IUPAC NameN,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane
SMILESCC(=O)N1CCN(CCC(C)C)CC1.CC(C)C(C)(C)C.CC(C)C(C)(C)CN(C)C.CC(C)C(C)(C)N(C)C.CC(C)C(C)C.CC(C)C(C)CN(C)C.CC(C)C(C)N(C)C.CC(C)CCN(C)C.CC(C)CCN1CCC(F)CC1.CC(C)CCN1CCC(O)CC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN2CCCCC2C1.CC(C)CCN1CCOCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCN1CCN(CCC(C)C)CC1.CCOC1CCN(CCC(C)C)CC1.CNC(=O)C1CCN(CCC(C)C)CC1.CNC(C)(C)C(C)C.CNC(C)C(C)C.CNCCC(C)C.COC1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2.C12H24N2O.C12H26N2.C12H25NO.C11H22N2O.2C11H24N2.C11H23NO.C10H20FN.C10H22N2.C10H21NO.C10H21N.C9H20N2.C9H19NO.2C9H19N.C9H21N.2C8H19N.C8H18.3C7H17N.2C7H16.2C6H15N.2C6H14/c1-12(2)6-8-14-9-10-15-7-4-3-5-13(15)11-14;1-10(2)4-7-14-8-5-11(6-9-14)12(15)13-3;1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-14-12-6-9-13(10-7-12)8-5-11(2)3;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-4-12-7-9-13(10-8-12)6-5-11(2)3;1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-9(2)3-6-12-7-4-10(11)5-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-6-11-7-4-10(12)5-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9(3,4)7-10(5)6;1-7(2)8(3)6-9(4)5;1-7(2)8(3,4)9(5)6;1-6-8(4,5)7(2)3;1-7(2)5-6-8(3)4;1-6(2)7(3)8(4)5;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-6(2)4-5-7-3;1-5(2)6(3)7-4;1-5(2)6(3)4;1-4-5-6(2)3/h12-13H,3-11H2,1-2H3;10-11H,4-9H2,1-3H3,(H,13,15);11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9-10,12H,3-8H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,7H2,1-6H3;7-8H,6H2,1-5H3;7H,1-6H3;7H,6H2,1-5H3;7H,5-6H2,1-4H3;6-7H,1-5H3;6,8H,1-5H3;6H,1-5H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3
InChIKeyRCFQHGMSSLADAT-UHFFFAOYSA-N
XLogP55.81
TPSA220.90 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds78
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004275.67
LogP ≤ 555.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane?
The IUPAC name of N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane (CID 160584610) is N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane.
What is the SMILES notation for N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane?
The canonical SMILES for N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane is CC(=O)N1CCN(CCC(C)C)CC1.CC(C)C(C)(C)C.CC(C)C(C)(C)CN(C)C.CC(C)C(C)(C)N(C)C.CC(C)C(C)C.CC(C)C(C)CN(C)C.CC(C)C(C)N(C)C.CC(C)CCN(C)C.CC(C)CCN1CCC(F)CC1.CC(C)CCN1CCC(O)CC1.CC(C)CCN1CCCCC1.CC(C)CCN1CCN(C(C)C)CC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCN2CCCCC2C1.CC(C)CCN1CCOCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)(C)C(C)C.CCC(C)C(C)C.CCCC(C)C.CCN1CCN(CCC(C)C)CC1.CCOC1CCN(CCC(C)C)CC1.CNC(=O)C1CCN(CCC(C)C)CC1.CNC(C)(C)C(C)C.CNC(C)C(C)C.CNCCC(C)C.COC1CCN(CCC(C)C)CC1.
What is the InChIKey of N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane?
The InChIKey is RCFQHGMSSLADAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2O.C12H26N2.C12H25NO.C11H22N2O.2C11H24N2.C11H23NO.C10H20FN.C10H22N2.C10H21NO.C10H21N.C9H20N2.C9H19NO.2C9H19N.C9H21N.2C8H19N.C8H18.3C7H17N.2C7H16.2C6H15N.2C6H14/c1-12(2)6-8-14-9-10-15-7-4-3-5-13(15)11-14;1-10(2)4-7-14-8-5-11(6-9-14)12(15)13-3;1-11(2)5-6-13-7-9-14(10-8-13)12(3)4;1-4-14-12-6-9-13(10-7-12)8-5-11(2)3;1-10(2)4-5-12-6-8-13(9-7-12)11(3)14;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-4-12-7-9-13(10-8-12)6-5-11(2)3;1-10(2)4-7-12-8-5-11(13-3)6-9-12;1-9(2)3-6-12-7-4-10(11)5-8-12;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)3-6-11-7-4-10(12)5-8-11;1-10(2)6-9-11-7-4-3-5-8-11;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9(3,4)7-10(5)6;1-7(2)8(3)6-9(4)5;1-7(2)8(3,4)9(5)6;1-6-8(4,5)7(2)3;1-7(2)5-6-8(3)4;1-6(2)7(3)8(4)5;1-6(2)7(3,4)8-5;1-6(2)7(3,4)5;1-5-7(4)6(2)3;1-6(2)4-5-7-3;1-5(2)6(3)7-4;1-5(2)6(3)4;1-4-5-6(2)3/h12-13H,3-11H2,1-2H3;10-11H,4-9H2,1-3H3,(H,13,15);11-12H,5-10H2,1-4H3;11-12H,4-10H2,1-3H3;10H,4-9H2,1-3H3;10-11H,5-9H2,1-4H3;11H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;9-10H,3-8H2,1-2H3;10H,4-9H2,1-3H3;9-10,12H,3-8H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;9H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8H,7H2,1-6H3;7-8H,6H2,1-5H3;7H,1-6H3;7H,6H2,1-5H3;7H,5-6H2,1-4H3;6-7H,1-5H3;6,8H,1-5H3;6H,1-5H3;6-7H,5H2,1-4H3;6-7H,4-5H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3.
What are the key properties of N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane?
N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane has a molecular weight of 4275.67 g/mol, XLogP of 55.81, 78 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;4-ethoxy-1-(3-methylbutyl)piperidine;1-ethyl-4-(3-methylbutyl)piperazine;4-fluoro-1-(3-methylbutyl)piperidine;4-methoxy-1-(3-methylbutyl)piperidine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)piperidin-4-ol;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;N-methyl-1-(3-methylbutyl)piperidine-4-carboxamide;1-methyl-4-(2-methylpropyl)piperazine;2-methylpentane;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane is sourced from PubChem (CID 160584610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).