(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine

C36H37NP2 — CID 138466205

About (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine

(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine (PubChem CID 138466205) has the molecular formula C36H37NP2 and a molecular weight of 545.65 g/mol. Its IUPAC name is (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine.

Molecular Properties

• Compound Name: (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
• PubChem CID: 138466205
• Molecular Formula: C36H37NP2
• Molecular Weight: 545.65 g/mol
• Exact Mass: 545.24
• IUPAC Name: (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
• SMILES: CCCCN(P(c1ccccc1)c1cccc2ccccc12)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
• InChI: InChI=1S/C36H37NP2/c1-2-3-28-37(38(32-22-11-6-12-23-32)36-25-15-21-29-16-13-14-24-33(29)36)39-34(30-17-7-4-8-18-30)26-27-35(39)31-19-9-5-10-20-31/h4-25,34-35H,2-3,26-28H2,1H3/t34-,35-,38?/m0/s1
• InChIKey: VCGQMLIKVZDRNK-OZLFYJSBSA-N
• XLogP: 9.96
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.65
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine?

The IUPAC name of (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine (CID 138466205) is (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine.

What is the SMILES notation for (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine?

The canonical SMILES for (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine is CCCCN(P(c1ccccc1)c1cccc2ccccc12)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.

What is the InChIKey of (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine?

The InChIKey is VCGQMLIKVZDRNK-OZLFYJSBSA-N. The full InChI is InChI=1S/C36H37NP2/c1-2-3-28-37(38(32-22-11-6-12-23-32)36-25-15-21-29-16-13-14-24-33(29)36)39-34(30-17-7-4-8-18-30)26-27-35(39)31-19-9-5-10-20-31/h4-25,34-35H,2-3,26-28H2,1H3/t34-,35-,38?/m0/s1.

What are the key properties of (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine?

(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine has a molecular weight of 545.65 g/mol, XLogP of 9.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 138466205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).