(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine

C23H26NOP — CID 101233788

IUPAC(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine
SMILESCCCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NOP/c1-2-3-19-23(20-13-7-4-8-14-20)24-26(25,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyBQHBPNUZZULDCQ-QHCPKHFHSA-N
MW363.44 g/mol
LogP5.44
Rot. Bonds8

About (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine

(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine (PubChem CID 101233788) has the molecular formula C23H26NOP and a molecular weight of 363.44 g/mol. Its IUPAC name is (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine
PubChem CID101233788
Molecular FormulaC23H26NOP
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Name(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine
SMILESCCCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NOP/c1-2-3-19-23(20-13-7-4-8-14-20)24-26(25,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,24,25)/t23-/m0/s1
InChIKeyBQHBPNUZZULDCQ-QHCPKHFHSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine?
The IUPAC name of (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine (CID 101233788) is (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine.
What is the SMILES notation for (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine?
The canonical SMILES for (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine is CCCC[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine?
The InChIKey is BQHBPNUZZULDCQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26NOP/c1-2-3-19-23(20-13-7-4-8-14-20)24-26(25,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3,(H,24,25)/t23-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine?
(1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine has a molecular weight of 363.44 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphoryl-1-phenylpentan-1-amine is sourced from PubChem (CID 101233788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).