(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate

C51H65Br2N4O8- — CID 159614565

About (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate

(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 159614565) has the molecular formula C51H65Br2N4O8- and a molecular weight of 1021.91 g/mol. Its IUPAC name is (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

• Compound Name: (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate
• PubChem CID: 159614565
• Molecular Formula: C51H65Br2N4O8-
• Molecular Weight: 1021.91 g/mol
• Exact Mass: 1019.32
• IUPAC Name: (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21.COC(=O)c1ccc2c(c1)[C@H](N)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2.N[C@@H]1CCc2ccc(Br)cc21.[CH3-]
• InChI: InChI=1S/C16H21NO4.C14H18BrNO2.C11H13NO2.C9H10BrN.CH3/c1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;10-7-3-1-6-2-4-9(11)8(6)5-7;/h5-6,9,13H,7-8H2,1-4H3,(H,17,19);4,6,8,12H,5,7H2,1-3H3,(H,16,17);2-3,6,10H,4-5,12H2,1H3;1,3,5,9H,2,4,11H2;1H3/q;;;;-1/t13-;12-;10-;9-;/m1111./s1
• InChIKey: MNCVZJCUKVXLFY-YVBGTNENSA-N
• XLogP: 11.21
• TPSA: 181.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.91
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?

The IUPAC name of (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate (CID 159614565) is (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate.

What is the SMILES notation for (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?

The canonical SMILES for (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate is CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21.COC(=O)c1ccc2c(c1)[C@H](N)CC2.COC(=O)c1ccc2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2.N[C@@H]1CCc2ccc(Br)cc21.[CH3-].

What is the InChIKey of (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?

The InChIKey is MNCVZJCUKVXLFY-YVBGTNENSA-N. The full InChI is InChI=1S/C16H21NO4.C14H18BrNO2.C11H13NO2.C9H10BrN.CH3/c1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;10-7-3-1-6-2-4-9(11)8(6)5-7;/h5-6,9,13H,7-8H2,1-4H3,(H,17,19);4,6,8,12H,5,7H2,1-3H3,(H,16,17);2-3,6,10H,4-5,12H2,1H3;1,3,5,9H,2,4,11H2;1H3/q;;;;-1/t13-;12-;10-;9-;/m1111./s1.

What are the key properties of (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate?

(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 1021.91 g/mol, XLogP of 11.21, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-6-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate;carbanide;methyl (3R)-3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 159614565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).