N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine

C130H229N15O2 — CID 159696176

IUPACN-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine
SMILESCC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(C)CCCC(C)NC(C)(C)C.CC(C)NC1CCCC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCNC(C)(C)C.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1
InChIInChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C12H27N.C10H21N.C8H17N.C6H15N/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;1-10(2)8-7-9-11(3)13-12(4,5)6;1-10(2,3)11-9-7-5-4-6-8-9;1-7(2)9-8-5-3-4-6-8;1-5-7-6(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;10-11,13H,7-9H2,1-6H3;9,11H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;7H,5H2,1-4H3
InChIKeyMXAPVCLYOLQQHA-UHFFFAOYSA-N
MW2034.36 g/mol
LogP26.93
Rot. Bonds29

About N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine

N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine (PubChem CID 159696176) has the molecular formula C130H229N15O2 and a molecular weight of 2034.36 g/mol. Its IUPAC name is N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine
PubChem CID159696176
Molecular FormulaC130H229N15O2
Molecular Weight2034.36 g/mol
Exact Mass2032.83
IUPAC NameN-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine
SMILESCC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(C)CCCC(C)NC(C)(C)C.CC(C)NC1CCCC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCNC(C)(C)C.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1
InChIInChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C12H27N.C10H21N.C8H17N.C6H15N/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;1-10(2)8-7-9-11(3)13-12(4,5)6;1-10(2,3)11-9-7-5-4-6-8-9;1-7(2)9-8-5-3-4-6-8;1-5-7-6(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;10-11,13H,7-9H2,1-6H3;9,11H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;7H,5H2,1-4H3
InChIKeyMXAPVCLYOLQQHA-UHFFFAOYSA-N
XLogP26.93
TPSA146.17 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.36
LogP ≤ 526.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

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 N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine?
The IUPAC name of N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine (CID 159696176) is N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine is CC(C)(C)NC1CCCCC1.CC(C)(C)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.CC(C)(C)NC1CCN(CC2Cc3ccccc3O2)CC1.CC(C)CCCC(C)NC(C)(C)C.CC(C)NC1CCCC1.CC(CN1CCC(NC(C)(C)C)CC1)c1ccccc1.CCNC(C)(C)C.CN(C)c1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.COc1ccc(CN2CCC(NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine?
The InChIKey is MXAPVCLYOLQQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.C18H31N3.C18H28N2O.C18H30N2.C17H28N2O.C12H27N.C10H21N.C8H17N.C6H15N/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;1-10(2)8-7-9-11(3)13-12(4,5)6;1-10(2,3)11-9-7-5-4-6-8-9;1-7(2)9-8-5-3-4-6-8;1-5-7-6(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;10-11,13H,7-9H2,1-6H3;9,11H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;7H,5H2,1-4H3.
What are the key properties of N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine?
N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine has a molecular weight of 2034.36 g/mol, XLogP of 26.93, 29 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexanamine;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-6-methylheptan-2-amine;N-tert-butyl-1-(2-phenylpropyl)piperidin-4-amine;N-ethyl-2-methylpropan-2-amine;N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 159696176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).