N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine

C118H168N18 — CID 160991548

About N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine (PubChem CID 160991548) has the molecular formula C118H168N18 and a molecular weight of 1838.77 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine.

Molecular Properties

• Compound Name: N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
• PubChem CID: 160991548
• Molecular Formula: C118H168N18
• Molecular Weight: 1838.77 g/mol
• Exact Mass: 1837.37
• IUPAC Name: N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine
• SMILES: CCCCCN(C[C@H]1Cc2ccccc2CN1)[C@@H](C)c1ccccn1.CCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H](C)c1ccc(C)cn1.Cc1ccc(CN(CCCN2CCCCC2)C[C@H]2Cc3ccccc3CN2)nc1.Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCCCC2)CN1.Cc1cccnc1CN(CCCN1CCCCC1)C[C@H]1Cc2ccccc2CN1
• InChI: InChI=1S/2C25H36N4.C23H32N4.C23H33N3.C22H31N3/c1-21-9-7-12-26-25(21)20-29(16-8-15-28-13-5-2-6-14-28)19-24-17-22-10-3-4-11-23(22)18-27-24;1-21-10-11-24(26-17-21)19-29(15-7-14-28-12-5-2-6-13-28)20-25-16-22-8-3-4-9-23(22)18-27-25;1-18-8-7-11-24-22(18)17-26(2)16-20-14-21-19(15-25-20)9-6-10-23(21)27-12-4-3-5-13-27;1-4-5-8-13-26(19(3)23-12-11-18(2)15-25-23)17-22-14-20-9-6-7-10-21(20)16-24-22;1-3-4-9-14-25(18(2)22-12-7-8-13-23-22)17-21-15-19-10-5-6-11-20(19)16-24-21/h3-4,7,9-12,24,27H,2,5-6,8,13-20H2,1H3;3-4,8-11,17,25,27H,2,5-7,12-16,18-20H2,1H3;6-11,20,25H,3-5,12-17H2,1-2H3;6-7,9-12,15,19,22,24H,4-5,8,13-14,16-17H2,1-3H3;5-8,10-13,18,21,24H,3-4,9,14-17H2,1-2H3/t24-;25-;20-;19-,22-;18-,21+/m11110/s1
• InChIKey: TURRMPWRWLPEQZ-DUJUKHRUSA-N
• XLogP: 20.10
• TPSA: 150.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.77
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine (CID 160991548) is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine.

What is the SMILES notation for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The canonical SMILES for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine is CCCCCN(C[C@H]1Cc2ccccc2CN1)[C@@H](C)c1ccccn1.CCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H](C)c1ccc(C)cn1.Cc1ccc(CN(CCCN2CCCCC2)C[C@H]2Cc3ccccc3CN2)nc1.Cc1cccnc1CN(C)C[C@H]1Cc2c(cccc2N2CCCCC2)CN1.Cc1cccnc1CN(CCCN1CCCCC1)C[C@H]1Cc2ccccc2CN1.

What is the InChIKey of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

The InChIKey is TURRMPWRWLPEQZ-DUJUKHRUSA-N. The full InChI is InChI=1S/2C25H36N4.C23H32N4.C23H33N3.C22H31N3/c1-21-9-7-12-26-25(21)20-29(16-8-15-28-13-5-2-6-14-28)19-24-17-22-10-3-4-11-23(22)18-27-24;1-21-10-11-24(26-17-21)19-29(15-7-14-28-12-5-2-6-13-28)20-25-16-22-8-3-4-9-23(22)18-27-25;1-18-8-7-11-24-22(18)17-26(2)16-20-14-21-19(15-25-20)9-6-10-23(21)27-12-4-3-5-13-27;1-4-5-8-13-26(19(3)23-12-11-18(2)15-25-23)17-22-14-20-9-6-7-10-21(20)16-24-22;1-3-4-9-14-25(18(2)22-12-7-8-13-23-22)17-21-15-19-10-5-6-11-20(19)16-24-21/h3-4,7,9-12,24,27H,2,5-6,8,13-20H2,1H3;3-4,8-11,17,25,27H,2,5-7,12-16,18-20H2,1H3;6-11,20,25H,3-5,12-17H2,1-2H3;6-7,9-12,15,19,22,24H,4-5,8,13-14,16-17H2,1-3H3;5-8,10-13,18,21,24H,3-4,9,14-17H2,1-2H3/t24-;25-;20-;19-,22-;18-,21+/m11110/s1.

What are the key properties of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine?

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine has a molecular weight of 1838.77 g/mol, XLogP of 20.10, 37 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-[(3R)-5-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;N-[(1R)-1-(5-methyl-2-pyridinyl)ethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine;N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(5-methyl-2-pyridinyl)methyl]-3-piperidin-1-yl-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]propan-1-amine;N-[(1S)-1-pyridin-2-ylethyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]pentan-1-amine is sourced from PubChem (CID 160991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).