N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

C165H255F2N19O — CID 158033039

IUPACN-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCC(C)(C)Nc1ccc2c(c1)CN(CC(F)F)CC21CC1.CC(C)N1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CC(C)N1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1.CCN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1CCN(C)c2ccc(NC(C)(C)C)cc2C1.CN1CCOc2ccc(NC(C)(C)C)cc2C1.CN1CCc2ccc(NC(C)(C)C)cc2C1(C)C.CN1Cc2cc(NC(C)(C)C)ccc2C(C)(C)C1.CN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1
InChIInChI=1S/C19H29N.C18H28N2.C17H24F2N2.C17H26N2.C17H25N.C16H24N2.2C16H26N2.C15H25N3.C14H22N2O/c1-14(2)20-12-16-7-6-15(11-18(3,4)5)10-17(16)19(13-20)8-9-19;1-13(2)20-11-14-10-15(19-17(3,4)5)6-7-16(14)18(12-20)8-9-18;1-16(2,3)20-13-4-5-14-12(8-13)9-21(10-15(18)19)11-17(14)6-7-17;1-5-19-11-13-10-14(18-16(2,3)4)6-7-15(13)17(12-19)8-9-17;1-16(2,3)10-13-5-6-14-11-18(4)12-17(7-8-17)15(14)9-13;1-15(2,3)17-13-5-6-14-12(9-13)10-18(4)11-16(14)7-8-16;1-15(2,3)17-13-7-8-14-12(9-13)10-18(6)11-16(14,4)5;1-15(2,3)17-13-8-7-12-9-10-18(6)16(4,5)14(12)11-13;1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5;1-14(2,3)15-12-5-6-13-11(9-12)10-16(4)7-8-17-13/h6-7,10,14H,8-9,11-13H2,1-5H3;6-7,10,13,19H,8-9,11-12H2,1-5H3;4-5,8,15,20H,6-7,9-11H2,1-3H3;6-7,10,18H,5,8-9,11-12H2,1-4H3;5-6,9H,7-8,10-12H2,1-4H3;5-6,9,17H,7-8,10-11H2,1-4H3;7-9,17H,10-11H2,1-6H3;7-8,11,17H,9-10H2,1-6H3;6-7,10,16H,8-9,11H2,1-5H3;5-6,9,15H,7-8,10H2,1-4H3
InChIKeyFHKJQCKZMHMGAR-UHFFFAOYSA-N
MW2558.98 g/mol
LogP36.32
Rot. Bonds15

About N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (PubChem CID 158033039) has the molecular formula C165H255F2N19O and a molecular weight of 2558.98 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound NameN-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
PubChem CID158033039
Molecular FormulaC165H255F2N19O
Molecular Weight2558.98 g/mol
Exact Mass2557.05
IUPAC NameN-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCC(C)(C)Nc1ccc2c(c1)CN(CC(F)F)CC21CC1.CC(C)N1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CC(C)N1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1.CCN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1CCN(C)c2ccc(NC(C)(C)C)cc2C1.CN1CCOc2ccc(NC(C)(C)C)cc2C1.CN1CCc2ccc(NC(C)(C)C)cc2C1(C)C.CN1Cc2cc(NC(C)(C)C)ccc2C(C)(C)C1.CN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1
InChIInChI=1S/C19H29N.C18H28N2.C17H24F2N2.C17H26N2.C17H25N.C16H24N2.2C16H26N2.C15H25N3.C14H22N2O/c1-14(2)20-12-16-7-6-15(11-18(3,4)5)10-17(16)19(13-20)8-9-19;1-13(2)20-11-14-10-15(19-17(3,4)5)6-7-16(14)18(12-20)8-9-18;1-16(2,3)20-13-4-5-14-12(8-13)9-21(10-15(18)19)11-17(14)6-7-17;1-5-19-11-13-10-14(18-16(2,3)4)6-7-15(13)17(12-19)8-9-17;1-16(2,3)10-13-5-6-14-11-18(4)12-17(7-8-17)15(14)9-13;1-15(2,3)17-13-5-6-14-12(9-13)10-18(4)11-16(14)7-8-16;1-15(2,3)17-13-7-8-14-12(9-13)10-18(6)11-16(14,4)5;1-15(2,3)17-13-8-7-12-9-10-18(6)16(4,5)14(12)11-13;1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5;1-14(2,3)15-12-5-6-13-11(9-12)10-16(4)7-8-17-13/h6-7,10,14H,8-9,11-13H2,1-5H3;6-7,10,13,19H,8-9,11-12H2,1-5H3;4-5,8,15,20H,6-7,9-11H2,1-3H3;6-7,10,18H,5,8-9,11-12H2,1-4H3;5-6,9H,7-8,10-12H2,1-4H3;5-6,9,17H,7-8,10-11H2,1-4H3;7-9,17H,10-11H2,1-6H3;7-8,11,17H,9-10H2,1-6H3;6-7,10,16H,8-9,11H2,1-5H3;5-6,9,15H,7-8,10H2,1-4H3
InChIKeyFHKJQCKZMHMGAR-UHFFFAOYSA-N
XLogP36.32
TPSA141.11 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002558.98
LogP ≤ 536.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The IUPAC name of N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (CID 158033039) is N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].
What is the SMILES notation for N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The canonical SMILES for N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is CC(C)(C)Nc1ccc2c(c1)CN(CC(F)F)CC21CC1.CC(C)N1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CC(C)N1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1.CCN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1CCN(C)c2ccc(NC(C)(C)C)cc2C1.CN1CCOc2ccc(NC(C)(C)C)cc2C1.CN1CCc2ccc(NC(C)(C)C)cc2C1(C)C.CN1Cc2cc(NC(C)(C)C)ccc2C(C)(C)C1.CN1Cc2cc(NC(C)(C)C)ccc2C2(CC2)C1.CN1Cc2ccc(CC(C)(C)C)cc2C2(CC2)C1.
What is the InChIKey of N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The InChIKey is FHKJQCKZMHMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.C18H28N2.C17H24F2N2.C17H26N2.C17H25N.C16H24N2.2C16H26N2.C15H25N3.C14H22N2O/c1-14(2)20-12-16-7-6-15(11-18(3,4)5)10-17(16)19(13-20)8-9-19;1-13(2)20-11-14-10-15(19-17(3,4)5)6-7-16(14)18(12-20)8-9-18;1-16(2,3)20-13-4-5-14-12(8-13)9-21(10-15(18)19)11-17(14)6-7-17;1-5-19-11-13-10-14(18-16(2,3)4)6-7-15(13)17(12-19)8-9-17;1-16(2,3)10-13-5-6-14-11-18(4)12-17(7-8-17)15(14)9-13;1-15(2,3)17-13-5-6-14-12(9-13)10-18(4)11-16(14)7-8-16;1-15(2,3)17-13-7-8-14-12(9-13)10-18(6)11-16(14,4)5;1-15(2,3)17-13-8-7-12-9-10-18(6)16(4,5)14(12)11-13;1-15(2,3)16-13-6-7-14-12(10-13)11-17(4)8-9-18(14)5;1-14(2,3)15-12-5-6-13-11(9-12)10-16(4)7-8-17-13/h6-7,10,14H,8-9,11-13H2,1-5H3;6-7,10,13,19H,8-9,11-12H2,1-5H3;4-5,8,15,20H,6-7,9-11H2,1-3H3;6-7,10,18H,5,8-9,11-12H2,1-4H3;5-6,9H,7-8,10-12H2,1-4H3;5-6,9,17H,7-8,10-11H2,1-4H3;7-9,17H,10-11H2,1-6H3;7-8,11,17H,9-10H2,1-6H3;6-7,10,16H,8-9,11H2,1-5H3;5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] has a molecular weight of 2558.98 g/mol, XLogP of 36.32, 15 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2-difluoroethyl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-7-amine;N-tert-butyl-2-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-4-methyl-3,5-dihydro-2H-1,4-benzoxazepin-7-amine;N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine;N-tert-butyl-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine;N-tert-butyl-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-amine;6-(2,2-dimethylpropyl)-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];6-(2,2-dimethylpropyl)-2-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 158033039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).