3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride

C85H130Cl2N11O18P — CID 157327256

About 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride

3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride (PubChem CID 157327256) has the molecular formula C85H130Cl2N11O18P and a molecular weight of 1701.94 g/mol. Its IUPAC name is 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride
• PubChem CID: 157327256
• Molecular Formula: C85H130Cl2N11O18P
• Molecular Weight: 1701.94 g/mol
• Exact Mass: 1699.90
• IUPAC Name: 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2)C1.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)C1.CC1(O)CCCC(N)C1.Cl.Cl.NC(=O)c1nn(CC(=O)O)c2ccccc12.[3H]P([3H])[3H]
• InChI: InChI=1S/C24H30N4O4.C19H31NO4.C14H23NO2.C11H17NO4.C10H9N3O3.C7H15NO.2ClH.H3P/c1-24(32)8-4-5-14(12-24)9-20(29)19-11-15-10-18(15)28(19)21(30)13-27-17-7-3-2-6-16(17)22(26-27)23(25)31;1-18(2,3)24-17(22)20-14-9-13(14)10-15(20)16(21)8-12-6-5-7-19(4,23)11-12;1-14(17)4-2-3-9(8-14)5-13(16)12-7-10-6-11(10)15-12;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;1-7(9)4-2-3-6(8)5-7;;;/h2-3,6-7,14-15,18-19,32H,4-5,8-13H2,1H3,(H2,25,31);12-15,23H,5-11H2,1-4H3;9-12,15,17H,2-8H2,1H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);6,9H,2-5,8H2,1H3;2*1H;1H3/t14?,15-,18-,19+,24?;12?,13-,14-,15+,19?;9?,10-,11-,12+,14?;6-,7-,8+;;;;;/m1111...../s1/i;;;;;;;;1T3
• InChIKey: LSLFCASXCWVTDM-VPYFUOKHSA-N
• XLogP: 10.18
• TPSA: 445.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.94
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride?

The IUPAC name of 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride (CID 157327256) is 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride.

What is the SMILES notation for 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride?

The canonical SMILES for 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride is CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2)C1.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.CC1(O)CCCC(CC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)C1.CC1(O)CCCC(N)C1.Cl.Cl.NC(=O)c1nn(CC(=O)O)c2ccccc12.[3H]P([3H])[3H].

What is the InChIKey of 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride?

The InChIKey is LSLFCASXCWVTDM-VPYFUOKHSA-N. The full InChI is InChI=1S/C24H30N4O4.C19H31NO4.C14H23NO2.C11H17NO4.C10H9N3O3.C7H15NO.2ClH.H3P/c1-24(32)8-4-5-14(12-24)9-20(29)19-11-15-10-18(15)28(19)21(30)13-27-17-7-3-2-6-16(17)22(26-27)23(25)31;1-18(2,3)24-17(22)20-14-9-13(14)10-15(20)16(21)8-12-6-5-7-19(4,23)11-12;1-14(17)4-2-3-9(8-14)5-13(16)12-7-10-6-11(10)15-12;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;1-7(9)4-2-3-6(8)5-7;;;/h2-3,6-7,14-15,18-19,32H,4-5,8-13H2,1H3,(H2,25,31);12-15,23H,5-11H2,1-4H3;9-12,15,17H,2-8H2,1H3;6-8H,4-5H2,1-3H3,(H,13,14);1-4H,5H2,(H2,11,16)(H,14,15);6,9H,2-5,8H2,1H3;2*1H;1H3/t14?,15-,18-,19+,24?;12?,13-,14-,15+,19?;9?,10-,11-,12+,14?;6-,7-,8+;;;;;/m1111...../s1/i;;;;;;;;1T3.

What are the key properties of 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride?

3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride has a molecular weight of 1701.94 g/mol, XLogP of 10.18, 16 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methylcyclohexan-1-ol;1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(3-hydroxy-3-methylcyclohexyl)ethanone;tert-butyl (1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[(1R,3S,5R)-3-[2-(3-hydroxy-3-methylcyclohexyl)acetyl]-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;tritritiophosphane;dihydrochloride is sourced from PubChem (CID 157327256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).