1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine

C37H49N3 — CID 130319786

About 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine

1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine (PubChem CID 130319786) has the molecular formula C37H49N3 and a molecular weight of 535.82 g/mol. Its IUPAC name is 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine.

Molecular Properties

• Compound Name: 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine
• PubChem CID: 130319786
• Molecular Formula: C37H49N3
• Molecular Weight: 535.82 g/mol
• Exact Mass: 535.39
• IUPAC Name: 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine
• SMILES: CC1Cc2cccc(-c3cccc(C(NC4(C)C(C(C)C)=CCCC4C(C)C)c4ccccc4C(C)C)n3)c2N1
• InChI: InChI=1S/C37H49N3/c1-23(2)28-15-9-10-16-29(28)36(40-37(8)31(24(3)4)18-12-19-32(37)25(5)6)34-21-13-20-33(39-34)30-17-11-14-27-22-26(7)38-35(27)30/h9-11,13-18,20-21,23-26,32,36,38,40H,12,19,22H2,1-8H3
• InChIKey: PBGJSJBXQGDISY-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 36.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.82
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine?

The IUPAC name of 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine (CID 130319786) is 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine.

What is the SMILES notation for 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine?

The canonical SMILES for 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine is CC1Cc2cccc(-c3cccc(C(NC4(C)C(C(C)C)=CCCC4C(C)C)c4ccccc4C(C)C)n3)c2N1.

What is the InChIKey of 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine?

The InChIKey is PBGJSJBXQGDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49N3/c1-23(2)28-15-9-10-16-29(28)36(40-37(8)31(24(3)4)18-12-19-32(37)25(5)6)34-21-13-20-33(39-34)30-17-11-14-27-22-26(7)38-35(27)30/h9-11,13-18,20-21,23-26,32,36,38,40H,12,19,22H2,1-8H3.

What are the key properties of 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine?

1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine has a molecular weight of 535.82 g/mol, XLogP of 9.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 130319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).