N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)

C146H174F6N20O — CID 160645701

About N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)

N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine) (PubChem CID 160645701) has the molecular formula C146H174F6N20O and a molecular weight of 2339.12 g/mol. Its IUPAC name is N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine).

Molecular Properties

• Compound Name: N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)
• PubChem CID: 160645701
• Molecular Formula: C146H174F6N20O
• Molecular Weight: 2339.12 g/mol
• Exact Mass: 2337.41
• IUPAC Name: N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)
• SMILES: CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)c12)C1CCCc2cccnc21
• InChI: InChI=1S/C31H40N4.C30H36N4.C29H36N4O.2C28H31F3N4/c1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;1-2-3-6-19-33(28-13-7-9-23-10-8-17-32-29(23)28)21-26-30-25(16-18-31-26)24-11-4-5-12-27(24)34(30)20-22-14-15-22;1-3-4-7-18-32(27-14-8-10-22-11-9-16-31-28(22)27)21-25-29-24(15-17-30-25)23-12-5-6-13-26(23)33(29)19-20-34-2;2*1-2-3-6-17-34(25-13-7-9-20-10-8-15-33-26(20)25)18-23-27-22(14-16-32-23)21-11-4-5-12-24(21)35(27)19-28(29,30)31/h7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;4-5,8,10-12,16-18,22,28H,2-3,6-7,9,13-15,19-21H2,1H3;5-6,9,11-13,15-17,27H,3-4,7-8,10,14,18-21H2,1-2H3;2*4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3
• InChIKey: RJTHUMCLQCFPLV-UHFFFAOYSA-N
• XLogP: 35.50
• TPSA: 178.98 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.12
LogP ≤ 5	35.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)?

The IUPAC name of N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine) (CID 160645701) is N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine).

What is the SMILES notation for N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)?

The canonical SMILES for N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine) is CCCCCN(Cc1nccc2c3ccccc3n(CC(C)(C)C)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC(F)(F)F)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CC3CC3)c12)C1CCCc2cccnc21.CCCCCN(Cc1nccc2c3ccccc3n(CCOC)c12)C1CCCc2cccnc21.

What is the InChIKey of N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)?

The InChIKey is RJTHUMCLQCFPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4.C30H36N4.C29H36N4O.2C28H31F3N4/c1-5-6-9-20-34(28-16-10-12-23-13-11-18-33-29(23)28)21-26-30-25(17-19-32-26)24-14-7-8-15-27(24)35(30)22-31(2,3)4;1-2-3-6-19-33(28-13-7-9-23-10-8-17-32-29(23)28)21-26-30-25(16-18-31-26)24-11-4-5-12-27(24)34(30)20-22-14-15-22;1-3-4-7-18-32(27-14-8-10-22-11-9-16-31-28(22)27)21-25-29-24(15-17-30-25)23-12-5-6-13-26(23)33(29)19-20-34-2;2*1-2-3-6-17-34(25-13-7-9-20-10-8-15-33-26(20)25)18-23-27-22(14-16-32-23)21-11-4-5-12-24(21)35(27)19-28(29,30)31/h7-8,11,13-15,17-19,28H,5-6,9-10,12,16,20-22H2,1-4H3;4-5,8,10-12,16-18,22,28H,2-3,6-7,9,13-15,19-21H2,1H3;5-6,9,11-13,15-17,27H,3-4,7-8,10,14,18-21H2,1-2H3;2*4-5,8,10-12,14-16,25H,2-3,6-7,9,13,17-19H2,1H3.

What are the key properties of N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine)?

N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine) has a molecular weight of 2339.12 g/mol, XLogP of 35.50, 43 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[9-(cyclopropylmethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2,2-dimethylpropyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;N-[[9-(2-methoxyethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;bis(N-pentyl-N-[[9-(2,2,2-trifluoroethyl)pyrido[3,4-b]indol-1-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine) is sourced from PubChem (CID 160645701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).