(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine

C28H36NOP — CID 134927465

IUPAC(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine
SMILESCC(C)CC[C@H](CCCCc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36NOP/c1-24(2)22-23-26(17-13-12-16-25-14-6-3-7-15-25)29-31(30,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h3-11,14-15,18-21,24,26H,12-13,16-17,22-23H2,1-2H3,(H,29,30)/t26-/m0/s1
InChIKeyLVSTZUSHGPTRES-SANMLTNESA-N
MW433.58 g/mol
LogP6.72
Rot. Bonds12

About (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine

(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine (PubChem CID 134927465) has the molecular formula C28H36NOP and a molecular weight of 433.58 g/mol. Its IUPAC name is (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine.

Molecular Properties

Compound Name(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine
PubChem CID134927465
Molecular FormulaC28H36NOP
Molecular Weight433.58 g/mol
Exact Mass433.25
IUPAC Name(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine
SMILESCC(C)CC[C@H](CCCCc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36NOP/c1-24(2)22-23-26(17-13-12-16-25-14-6-3-7-15-25)29-31(30,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h3-11,14-15,18-21,24,26H,12-13,16-17,22-23H2,1-2H3,(H,29,30)/t26-/m0/s1
InChIKeyLVSTZUSHGPTRES-SANMLTNESA-N
XLogP6.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine?
The IUPAC name of (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine (CID 134927465) is (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine.
What is the SMILES notation for (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine?
The canonical SMILES for (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine is CC(C)CC[C@H](CCCCc1ccccc1)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine?
The InChIKey is LVSTZUSHGPTRES-SANMLTNESA-N. The full InChI is InChI=1S/C28H36NOP/c1-24(2)22-23-26(17-13-12-16-25-14-6-3-7-15-25)29-31(30,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h3-11,14-15,18-21,24,26H,12-13,16-17,22-23H2,1-2H3,(H,29,30)/t26-/m0/s1.
What are the key properties of (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine?
(5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine has a molecular weight of 433.58 g/mol, XLogP of 6.72, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-diphenylphosphoryl-8-methyl-1-phenylnonan-5-amine is sourced from PubChem (CID 134927465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).