1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane

C92H195F4N13O2 — CID 158931970

IUPAC1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane
SMILESCC.CC.CC.CC.CC.CC.C[C@@H]1C(CN(C)C)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1[C@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C16H30N2O.C14H28FN3.C14H27FN2O.C14H28N2.C12H25FN2.C10H21FN2.6C2H6/c1-12-13(11-17-6-8-19-9-7-17)16(5)10-14(16)18(12)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-11(9-15(6)7)14(5)8-12(14)16(10)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-7-8(5-12)9(11)6-13(7)10(2,3)4;6*1-2/h12-14H,6-11H2,1-5H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-12H,8-9H2,1-7H3;9-11H,7-8H2,1-6H3;7-9H,5-6,12H2,1-4H3;6*1-2H3/t12-,13?,14-,16-;2*11-,12+,13+;10-,11?,12-,14-;9-,10+,11+;7-,8+,9+;;;;;;/m111111....../s1
InChIKeyJJEFWLDVQXHJTI-BBZGGBMWSA-N
MW1591.65 g/mol
LogP17.35
Rot. Bonds11

About 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane

1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane (PubChem CID 158931970) has the molecular formula C92H195F4N13O2 and a molecular weight of 1591.65 g/mol. Its IUPAC name is 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane.

Molecular Properties

Compound Name1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane
PubChem CID158931970
Molecular FormulaC92H195F4N13O2
Molecular Weight1591.65 g/mol
Exact Mass1590.55
IUPAC Name1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane
SMILESCC.CC.CC.CC.CC.CC.C[C@@H]1C(CN(C)C)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1[C@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C16H30N2O.C14H28FN3.C14H27FN2O.C14H28N2.C12H25FN2.C10H21FN2.6C2H6/c1-12-13(11-17-6-8-19-9-7-17)16(5)10-14(16)18(12)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-11(9-15(6)7)14(5)8-12(14)16(10)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-7-8(5-12)9(11)6-13(7)10(2,3)4;6*1-2/h12-14H,6-11H2,1-5H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-12H,8-9H2,1-7H3;9-11H,7-8H2,1-6H3;7-9H,5-6,12H2,1-4H3;6*1-2H3/t12-,13?,14-,16-;2*11-,12+,13+;10-,11?,12-,14-;9-,10+,11+;7-,8+,9+;;;;;;/m111111....../s1
InChIKeyJJEFWLDVQXHJTI-BBZGGBMWSA-N
XLogP17.35
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.65
LogP ≤ 517.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane?
The IUPAC name of 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane (CID 158931970) is 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane.
What is the SMILES notation for 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane?
The canonical SMILES for 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane is CC.CC.CC.CC.CC.CC.C[C@@H]1C(CN(C)C)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1C(CN2CCOCC2)[C@@]2(C)C[C@H]2N1C(C)(C)C.C[C@@H]1[C@H](CN(C)C)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCNCC2)[C@@H](F)CN1C(C)(C)C.C[C@@H]1[C@H](CN2CCOCC2)[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane?
The InChIKey is JJEFWLDVQXHJTI-BBZGGBMWSA-N. The full InChI is InChI=1S/C16H30N2O.C14H28FN3.C14H27FN2O.C14H28N2.C12H25FN2.C10H21FN2.6C2H6/c1-12-13(11-17-6-8-19-9-7-17)16(5)10-14(16)18(12)15(2,3)4;1-11-12(9-17-7-5-16-6-8-17)13(15)10-18(11)14(2,3)4;1-11-12(9-16-5-7-18-8-6-16)13(15)10-17(11)14(2,3)4;1-10-11(9-15(6)7)14(5)8-12(14)16(10)13(2,3)4;1-9-10(7-14(5)6)11(13)8-15(9)12(2,3)4;1-7-8(5-12)9(11)6-13(7)10(2,3)4;6*1-2/h12-14H,6-11H2,1-5H3;11-13,16H,5-10H2,1-4H3;11-13H,5-10H2,1-4H3;10-12H,8-9H2,1-7H3;9-11H,7-8H2,1-6H3;7-9H,5-6,12H2,1-4H3;6*1-2H3/t12-,13?,14-,16-;2*11-,12+,13+;10-,11?,12-,14-;9-,10+,11+;7-,8+,9+;;;;;;/m111111....../s1.
What are the key properties of 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane?
1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane has a molecular weight of 1591.65 g/mol, XLogP of 17.35, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]-N,N-dimethylmethanamine;4-[[(1R,3R,5R)-2-tert-butyl-3,5-dimethyl-2-azabicyclo[3.1.0]hexan-4-yl]methyl]morpholine;1-[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine;[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methanamine;4-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]morpholine;1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine;ethane is sourced from PubChem (CID 158931970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).