lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane

C78H128AlLiN8O11 — CID 158402727

About lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane

lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane (PubChem CID 158402727) has the molecular formula C78H128AlLiN8O11 and a molecular weight of 1387.85 g/mol. Its IUPAC name is lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane
• PubChem CID: 158402727
• Molecular Formula: C78H128AlLiN8O11
• Molecular Weight: 1387.85 g/mol
• Exact Mass: 1386.97
• IUPAC Name: lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane
• SMILES: C1CCOC1.CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2.CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2Cc1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CO.N#CC1CC2CCC(C1)N2Cc1ccccc1.NCC1CC2CCC(C1)N2Cc1ccccc1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C20H30N2O2.C15H22N2.C15H18N2.C13H24N2O2.C10H18O5.C4H8O.CH4O.Al.Li.4H/c1-20(2,3)24-19(23)21-13-16-11-17-9-10-18(12-16)22(17)14-15-7-5-4-6-8-15;2*16-10-13-8-14-6-7-15(9-13)17(14)11-12-4-2-1-3-5-12;1-13(2,3)17-12(16)14-8-9-6-10-4-5-11(7-9)15-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-4-5-3-1;1-2;;;;;;/h4-8,16-18H,9-14H2,1-3H3,(H,21,23);1-5,13-15H,6-11,16H2;1-5,13-15H,6-9,11H2;9-11,15H,4-8H2,1-3H3,(H,14,16);1-6H3;1-4H2;2H,1H3;;;;;;/q;;;;;;;;+1;;;;-1
• InChIKey: LSNSBBQNSZQCKC-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 239.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1387.85
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane?

The IUPAC name of lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane (CID 158402727) is lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane.

What is the SMILES notation for lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane?

The canonical SMILES for lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane is C1CCOC1.CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2.CC(C)(C)OC(=O)NCC1CC2CCC(C1)N2Cc1ccccc1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CO.N#CC1CC2CCC(C1)N2Cc1ccccc1.NCC1CC2CCC(C1)N2Cc1ccccc1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane?

The InChIKey is LSNSBBQNSZQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C15H22N2.C15H18N2.C13H24N2O2.C10H18O5.C4H8O.CH4O.Al.Li.4H/c1-20(2,3)24-19(23)21-13-16-11-17-9-10-18(12-16)22(17)14-15-7-5-4-6-8-15;2*16-10-13-8-14-6-7-15(9-13)17(14)11-12-4-2-1-3-5-12;1-13(2,3)17-12(16)14-8-9-6-10-4-5-11(7-9)15-10;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-4-5-3-1;1-2;;;;;;/h4-8,16-18H,9-14H2,1-3H3,(H,21,23);1-5,13-15H,6-11,16H2;1-5,13-15H,6-9,11H2;9-11,15H,4-8H2,1-3H3,(H,14,16);1-6H3;1-4H2;2H,1H3;;;;;;/q;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane?

lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane has a molecular weight of 1387.85 g/mol, XLogP of 10.55, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine;tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate;tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;methanol;oxolane is sourced from PubChem (CID 158402727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).