(1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride

C35H51ClN2O7 — CID 126483071

About (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride

(1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride (PubChem CID 126483071) has the molecular formula C35H51ClN2O7 and a molecular weight of 647.25 g/mol. Its IUPAC name is (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride.

Molecular Properties

• Compound Name: (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride
• PubChem CID: 126483071
• Molecular Formula: C35H51ClN2O7
• Molecular Weight: 647.25 g/mol
• Exact Mass: 646.34
• IUPAC Name: (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride
• SMILES: COCCOCCOCCOCCOCCOc1ccc(Nc2ccc3c(c2)[C@]2(C)CCN(CC4CC4)[C@H](C3=O)[C@@H]2C)cc1.Cl
• InChI: InChI=1S/C35H50N2O7.ClH/c1-26-33-34(38)31-11-8-29(24-32(31)35(26,2)12-13-37(33)25-27-4-5-27)36-28-6-9-30(10-7-28)44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39-3;/h6-11,24,26-27,33,36H,4-5,12-23,25H2,1-3H3;1H/t26-,33-,35+;/m0./s1
• InChIKey: AXKOYWQSEQPRJH-OWZZSSLLSA-N
• XLogP: 5.52
• TPSA: 87.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.25
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride?

The IUPAC name of (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride (CID 126483071) is (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride.

What is the SMILES notation for (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride?

The canonical SMILES for (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride is COCCOCCOCCOCCOCCOc1ccc(Nc2ccc3c(c2)[C@]2(C)CCN(CC4CC4)[C@H](C3=O)[C@@H]2C)cc1.Cl.

What is the InChIKey of (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride?

The InChIKey is AXKOYWQSEQPRJH-OWZZSSLLSA-N. The full InChI is InChI=1S/C35H50N2O7.ClH/c1-26-33-34(38)31-11-8-29(24-32(31)35(26,2)12-13-37(33)25-27-4-5-27)36-28-6-9-30(10-7-28)44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39-3;/h6-11,24,26-27,33,36H,4-5,12-23,25H2,1-3H3;1H/t26-,33-,35+;/m0./s1.

What are the key properties of (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride?

(1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride has a molecular weight of 647.25 g/mol, XLogP of 5.52, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9S,13R)-10-(cyclopropylmethyl)-4-[4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anilino]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one;hydrochloride is sourced from PubChem (CID 126483071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).