N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide

C138H268N18O10 — CID 157126154

IUPACN-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide
SMILESCC(C)CC(C)(C)CC(=O)N1CCC(CN)C1.CC(C)CC(C)(C)CC(=O)N1CCC(CN)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNC2.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNCCO2.CC(C)CC(C)(C)CC(=O)N1CCC2(CCCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNCC2)C1.CC(C)CC(C)(C)CC(=O)NC1CCNC1.CC(C)CC(C)(C)CC(=O)NCCN
InChIInChI=1S/C18H34N2O.C17H32N2O2.2C17H32N2O.C16H30N2O.C15H30N2O.C14H28N2O.C13H26N2O.C11H24N2O/c1-15(2)12-17(3,4)13-16(21)20-10-7-18(8-11-20)6-5-9-19-14-18;1-14(2)11-16(3,4)12-15(20)19-8-5-17(6-9-19)13-18-7-10-21-17;1-14(2)11-16(3,4)12-15(20)19-9-6-17(7-10-19)5-8-18-13-17;1-14(2)11-16(3,4)12-15(20)19-10-7-17(13-19)5-8-18-9-6-17;1-13(2)9-15(3,4)10-14(19)18-7-5-16(6-8-18)11-17-12-16;1-12(2)9-15(3,4)10-14(18)17-7-5-13(11-16)6-8-17;1-11(2)7-14(3,4)8-13(17)16-6-5-12(9-15)10-16;1-10(2)7-13(3,4)8-12(16)15-11-5-6-14-9-11;1-9(2)7-11(3,4)8-10(14)13-6-5-12/h15,19H,5-14H2,1-4H3;14,18H,5-13H2,1-4H3;2*14,18H,5-13H2,1-4H3;13,17H,5-12H2,1-4H3;12-13H,5-11,16H2,1-4H3;11-12H,5-10,15H2,1-4H3;10-11,14H,5-9H2,1-4H3,(H,15,16);9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyAINJDDUUZPLAKY-UHFFFAOYSA-N
MW2339.78 g/mol
LogP22.99
Rot. Bonds41

About N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide

N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide (PubChem CID 157126154) has the molecular formula C138H268N18O10 and a molecular weight of 2339.78 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide
PubChem CID157126154
Molecular FormulaC138H268N18O10
Molecular Weight2339.78 g/mol
Exact Mass2338.10
IUPAC NameN-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide
SMILESCC(C)CC(C)(C)CC(=O)N1CCC(CN)C1.CC(C)CC(C)(C)CC(=O)N1CCC(CN)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNC2.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNCCO2.CC(C)CC(C)(C)CC(=O)N1CCC2(CCCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNCC2)C1.CC(C)CC(C)(C)CC(=O)NC1CCNC1.CC(C)CC(C)(C)CC(=O)NCCN
InChIInChI=1S/C18H34N2O.C17H32N2O2.2C17H32N2O.C16H30N2O.C15H30N2O.C14H28N2O.C13H26N2O.C11H24N2O/c1-15(2)12-17(3,4)13-16(21)20-10-7-18(8-11-20)6-5-9-19-14-18;1-14(2)11-16(3,4)12-15(20)19-8-5-17(6-9-19)13-18-7-10-21-17;1-14(2)11-16(3,4)12-15(20)19-9-6-17(7-10-19)5-8-18-13-17;1-14(2)11-16(3,4)12-15(20)19-10-7-17(13-19)5-8-18-9-6-17;1-13(2)9-15(3,4)10-14(19)18-7-5-16(6-8-18)11-17-12-16;1-12(2)9-15(3,4)10-14(18)17-7-5-13(11-16)6-8-17;1-11(2)7-14(3,4)8-13(17)16-6-5-12(9-15)10-16;1-10(2)7-13(3,4)8-12(16)15-11-5-6-14-9-11;1-9(2)7-11(3,4)8-10(14)13-6-5-12/h15,19H,5-14H2,1-4H3;14,18H,5-13H2,1-4H3;2*14,18H,5-13H2,1-4H3;13,17H,5-12H2,1-4H3;12-13H,5-11,16H2,1-4H3;11-12H,5-10,15H2,1-4H3;10-11,14H,5-9H2,1-4H3,(H,15,16);9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyAINJDDUUZPLAKY-UHFFFAOYSA-N
XLogP22.99
TPSA359.84 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002339.78
LogP ≤ 522.99
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide with MolForge

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Related Compounds

bis(N-tert-butylpyrrolidin-3-amine);bis(N-(cyclopentylmethyl)-2-methylpropan-2-amine);2,2-dimethyl-1-piperazin-1-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;4-[(2-methylpropan-2-yl)oxy]piperidine;2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157137617
CID 157419047
CID 157419047
CID 157459364
CID 157459364
N-(2-aminoethyl)-2,2-diethyl-4-methylpentanamide;1-[4-(aminomethyl)piperidin-1-yl]-2,2-diethyl-4-methylpentan-1-one;1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-diethyl-4-methylpentan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-2,2-diethyl-4-methylpentan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2-diethyl-4-methylpentan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-2,2-diethyl-4-methylpentan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-2,2-diethyl-4-methylpentan-1-one;2,2-diethyl-4-methyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-1-one;2,2-diethyl-4-methyl-N-pyrrolidin-3-ylpentanamide
CID 157607867
1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(4-tert-butylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;N-(1-tert-butylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide;1-(4-tert-butylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one;N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide;3,3-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butanamide
CID 157675079
1-(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(7-tert-butyl-2,7-diazaspiro[3.4]octan-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(4-tert-butylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone;1-(4-tert-butylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one;N-(1-tert-butylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide;N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide;3,3-dimethyl-N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-4-yl]butanamide
CID 157742201
N-(2-aminoethyl)-1-(2-methylpropyl)cyclopropane-1-carboxamide;[4-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopropyl]methanone;[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)cyclopropyl]methanone;2,8-diazaspiro[4.5]decan-2-yl-[1-(2-methylpropyl)cyclopropyl]methanone;2,8-diazaspiro[4.5]decan-8-yl-[1-(2-methylpropyl)cyclopropyl]methanone;2,7-diazaspiro[3.5]nonan-7-yl-[1-(2-methylpropyl)cyclopropyl]methanone;2,9-diazaspiro[5.5]undecan-9-yl-[1-(2-methylpropyl)cyclopropyl]methanone;[1-(2-methylpropyl)cyclopropyl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;1-(2-methylpropyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 158370090
N-(2-aminoethyl)-2,2,4-trimethylpentanamide;1-[4-(aminomethyl)piperidin-1-yl]-2,2,4-trimethylpentan-1-one;1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2,4-trimethylpentan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-2,2,4-trimethylpentan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-2,2,4-trimethylpentan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-2,2,4-trimethylpentan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-2,2,4-trimethylpentan-1-one;2,2,4-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-1-one;2,2,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 158415291
CID 158594446
CID 158594446
N-(2-aminoethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide;[4-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone;[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylpropyl)cyclobutyl]methanone;2,8-diazaspiro[4.5]decan-2-yl-[1-(2-methylpropyl)cyclobutyl]methanone;2,8-diazaspiro[4.5]decan-8-yl-[1-(2-methylpropyl)cyclobutyl]methanone;2,7-diazaspiro[3.5]nonan-7-yl-[1-(2-methylpropyl)cyclobutyl]methanone;2,9-diazaspiro[5.5]undecan-9-yl-[1-(2-methylpropyl)cyclobutyl]methanone;[1-(2-methylpropyl)cyclobutyl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;1-(2-methylpropyl)-N-pyrrolidin-3-ylcyclobutane-1-carboxamide
CID 159135397
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3,3-dimethylbutan-1-one;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]azetidine-3-carbonitrile;(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]piperidine-3-carbonitrile;(3S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]piperidine-3-carbonitrile;3,3-dimethyl-1-[4-[(3R)-3-methylmorpholin-4-yl]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[(3S)-3-methylmorpholin-4-yl]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-[methyl-[(3R)-oxolan-3-yl]amino]piperidin-1-yl]butan-1-one;3,3-dimethyl-1-[4-(oxolan-3-yl)piperazin-1-yl]butan-1-one
CID 159232955
bis(2,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane);1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)acetamide;2-tert-butyl-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,6-diazaspiro[3.3]heptane;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;(1R,4R)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one;bis(2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane);2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 159371306

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The IUPAC name of N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide (CID 157126154) is N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The canonical SMILES for N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide is CC(C)CC(C)(C)CC(=O)N1CCC(CN)C1.CC(C)CC(C)(C)CC(=O)N1CCC(CN)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNC2.CC(C)CC(C)(C)CC(=O)N1CCC2(CC1)CNCCO2.CC(C)CC(C)(C)CC(=O)N1CCC2(CCCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1.CC(C)CC(C)(C)CC(=O)N1CCC2(CCNCC2)C1.CC(C)CC(C)(C)CC(=O)NC1CCNC1.CC(C)CC(C)(C)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The InChIKey is AINJDDUUZPLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.C17H32N2O2.2C17H32N2O.C16H30N2O.C15H30N2O.C14H28N2O.C13H26N2O.C11H24N2O/c1-15(2)12-17(3,4)13-16(21)20-10-7-18(8-11-20)6-5-9-19-14-18;1-14(2)11-16(3,4)12-15(20)19-8-5-17(6-9-19)13-18-7-10-21-17;1-14(2)11-16(3,4)12-15(20)19-9-6-17(7-10-19)5-8-18-13-17;1-14(2)11-16(3,4)12-15(20)19-10-7-17(13-19)5-8-18-9-6-17;1-13(2)9-15(3,4)10-14(19)18-7-5-16(6-8-18)11-17-12-16;1-12(2)9-15(3,4)10-14(18)17-7-5-13(11-16)6-8-17;1-11(2)7-14(3,4)8-13(17)16-6-5-12(9-15)10-16;1-10(2)7-13(3,4)8-12(16)15-11-5-6-14-9-11;1-9(2)7-11(3,4)8-10(14)13-6-5-12/h15,19H,5-14H2,1-4H3;14,18H,5-13H2,1-4H3;2*14,18H,5-13H2,1-4H3;13,17H,5-12H2,1-4H3;12-13H,5-11,16H2,1-4H3;11-12H,5-10,15H2,1-4H3;10-11,14H,5-9H2,1-4H3,(H,15,16);9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide has a molecular weight of 2339.78 g/mol, XLogP of 22.99, 41 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3,5-trimethylhexanamide;1-[4-(aminomethyl)piperidin-1-yl]-3,3,5-trimethylhexan-1-one;1-[3-(aminomethyl)pyrrolidin-1-yl]-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-2-yl)-3,3,5-trimethylhexan-1-one;1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3,5-trimethylhexan-1-one;1-(2,7-diazaspiro[3.5]nonan-7-yl)-3,3,5-trimethylhexan-1-one;1-(2,9-diazaspiro[5.5]undecan-9-yl)-3,3,5-trimethylhexan-1-one;3,3,5-trimethyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)hexan-1-one;3,3,5-trimethyl-N-pyrrolidin-3-ylhexanamide is sourced from PubChem (CID 157126154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).