4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate

C134H217N15O4 — CID 158194055

IUPAC4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
SMILESCC(C)(C)NC1CCC(Cc2ccccc2)CC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCOC(=O)N1CCC(NC(C)(C)C)CC1.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.Cc1cccc(NC(C)(C)C)c1
InChIInChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C17H27N.C12H24N2O2.C11H17N/c1-23(2,3)24-21-14-16-25(17-15-21)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-18(2,3)19-16-10-12-21(13-11-16)14-15-6-8-17(9-7-15)20(4)5;1-18(2,3)19-15-8-10-20(11-9-15)13-16-12-14-6-4-5-7-17(14)21-16;1-15(16-8-6-5-7-9-16)14-20-12-10-17(11-13-20)19-18(2,3)4;1-17(2,3)18-15-9-11-19(12-10-15)13-14-5-7-16(20-4)8-6-14;1-17(2,3)18-16-11-9-15(10-12-16)13-14-7-5-4-6-8-14;1-5-16-11(15)14-8-6-10(7-9-14)13-12(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4/h4-13,21-22,24H,14-18H2,1-3H3;6-9,16,19H,10-14H2,1-5H3;4-7,15-16,19H,8-13H2,1-3H3;5-9,15,17,19H,10-14H2,1-4H3;5-8,15,18H,9-13H2,1-4H3;4-8,15-16,18H,9-13H2,1-3H3;10,13H,5-9H2,1-4H3;5-8,12H,1-4H3
InChIKeyGACVTZMUNRASKN-UHFFFAOYSA-N
MW2102.31 g/mol
LogP26.69
Rot. Bonds26

About 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate

4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate (PubChem CID 158194055) has the molecular formula C134H217N15O4 and a molecular weight of 2102.31 g/mol. Its IUPAC name is 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
PubChem CID158194055
Molecular FormulaC134H217N15O4
Molecular Weight2102.31 g/mol
Exact Mass2100.72
IUPAC Name4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate
SMILESCC(C)(C)NC1CCC(Cc2ccccc2)CC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCOC(=O)N1CCC(NC(C)(C)C)CC1.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.Cc1cccc(NC(C)(C)C)c1
InChIInChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C17H27N.C12H24N2O2.C11H17N/c1-23(2,3)24-21-14-16-25(17-15-21)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-18(2,3)19-16-10-12-21(13-11-16)14-15-6-8-17(9-7-15)20(4)5;1-18(2,3)19-15-8-10-20(11-9-15)13-16-12-14-6-4-5-7-17(14)21-16;1-15(16-8-6-5-7-9-16)14-20-12-10-17(11-13-20)19-18(2,3)4;1-17(2,3)18-15-9-11-19(12-10-15)13-14-5-7-16(20-4)8-6-14;1-17(2,3)18-16-11-9-15(10-12-16)13-14-7-5-4-6-8-14;1-5-16-11(15)14-8-6-10(7-9-14)13-12(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4/h4-13,21-22,24H,14-18H2,1-3H3;6-9,16,19H,10-14H2,1-5H3;4-7,15-16,19H,8-13H2,1-3H3;5-9,15,17,19H,10-14H2,1-4H3;5-8,15,18H,9-13H2,1-4H3;4-8,15-16,18H,9-13H2,1-3H3;10,13H,5-9H2,1-4H3;5-8,12H,1-4H3
InChIKeyGACVTZMUNRASKN-UHFFFAOYSA-N
XLogP26.69
TPSA163.68 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002102.31
LogP ≤ 526.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate?
The IUPAC name of 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate (CID 158194055) is 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate.
What is the SMILES notation for 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate?
The canonical SMILES for 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate is CC(C)(C)NC1CCC(Cc2ccccc2)CC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCOC(=O)N1CCC(NC(C)(C)C)CC1.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.Cc1cccc(NC(C)(C)C)c1.
What is the InChIKey of 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate?
The InChIKey is GACVTZMUNRASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C17H27N.C12H24N2O2.C11H17N/c1-23(2,3)24-21-14-16-25(17-15-21)18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-18(2,3)19-16-10-12-21(13-11-16)14-15-6-8-17(9-7-15)20(4)5;1-18(2,3)19-15-8-10-20(11-9-15)13-16-12-14-6-4-5-7-17(14)21-16;1-15(16-8-6-5-7-9-16)14-20-12-10-17(11-13-20)19-18(2,3)4;1-17(2,3)18-15-9-11-19(12-10-15)13-14-5-7-16(20-4)8-6-14;1-17(2,3)18-16-11-9-15(10-12-16)13-14-7-5-4-6-8-14;1-5-16-11(15)14-8-6-10(7-9-14)13-12(2,3)4;1-9-6-5-7-10(8-9)12-11(2,3)4/h4-13,21-22,24H,14-18H2,1-3H3;6-9,16,19H,10-14H2,1-5H3;4-7,15-16,19H,8-13H2,1-3H3;5-9,15,17,19H,10-14H2,1-4H3;5-8,15,18H,9-13H2,1-4H3;4-8,15-16,18H,9-13H2,1-3H3;10,13H,5-9H2,1-4H3;5-8,12H,1-4H3.
What are the key properties of 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate?
4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate has a molecular weight of 2102.31 g/mol, XLogP of 26.69, 26 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-tert-butylcyclohexan-1-amine;N-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-amine;N-tert-butyl-1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-amine;N-tert-butyl-1-(2,2-diphenylethyl)piperidin-4-amine;N-tert-butyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine;N-tert-butyl-3-methylaniline;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;ethyl 4-(tert-butylamino)piperidine-1-carboxylate is sourced from PubChem (CID 158194055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).