1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde

C84H128Cl2F3N11O15 — CID 158839583

About 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158839583) has the molecular formula C84H128Cl2F3N11O15 and a molecular weight of 1659.91 g/mol. Its IUPAC name is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158839583
• Molecular Formula: C84H128Cl2F3N11O15
• Molecular Weight: 1659.91 g/mol
• Exact Mass: 1657.89
• IUPAC Name: 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1.CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C.CC(C)(C)CCN.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=CC(F)(F)F
• InChI: InChI=1S/C23H30N4O3.C18H31NO3.C13H23NO.C11H17NO4.C10H9N3O3.C6H15N.C2HF3O.CH2Cl2/c1-23(2,3)10-6-9-19(28)18-12-14-11-17(14)27(18)20(29)13-26-16-8-5-4-7-15(16)21(25-26)22(24)30;1-17(2,3)9-7-8-15(20)14-11-12-10-13(12)19(14)16(21)22-18(4,5)6;1-13(2,3)6-4-5-12(15)11-8-9-7-10(9)14-11;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-6(2,3)4-5-7;3-2(4,5)1-6;2-1-3/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3,(H2,24,30);12-14H,7-11H2,1-6H3;9-11,14H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);4-5,7H2,1-3H3;1H;1H2/t14-,17-,18+;12-,13-,14+;9-,10-,11+;6-,7-,8+;;;;/m1111..../s1
• InChIKey: IYBKQSXZUNHVAS-WTKKPUBZSA-N
• XLogP: 14.84
• TPSA: 382.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1659.91
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 158839583) is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde is CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1.CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)(C)CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C.CC(C)(C)CCN.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.ClCCl.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=CC(F)(F)F.

What is the InChIKey of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is IYBKQSXZUNHVAS-WTKKPUBZSA-N. The full InChI is InChI=1S/C23H30N4O3.C18H31NO3.C13H23NO.C11H17NO4.C10H9N3O3.C6H15N.C2HF3O.CH2Cl2/c1-23(2,3)10-6-9-19(28)18-12-14-11-17(14)27(18)20(29)13-26-16-8-5-4-7-15(16)21(25-26)22(24)30;1-17(2,3)9-7-8-15(20)14-11-12-10-13(12)19(14)16(21)22-18(4,5)6;1-13(2,3)6-4-5-12(15)11-8-9-7-10(9)14-11;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-6(2,3)4-5-7;3-2(4,5)1-6;2-1-3/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3,(H2,24,30);12-14H,7-11H2,1-6H3;9-11,14H,4-8H2,1-3H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);4-5,7H2,1-3H3;1H;1H2/t14-,17-,18+;12-,13-,14+;9-,10-,11+;6-,7-,8+;;;;/m1111..../s1.

What are the key properties of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde?

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 1659.91 g/mol, XLogP of 14.84, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5,5-dimethylhexan-1-one;tert-butyl (1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;dichloromethane;3,3-dimethylbutan-1-amine;1-[2-[(1R,3S,5R)-3-(5,5-dimethylhexanoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158839583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).