10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride

C28H38BrClNP — CID 171509465

IUPAC10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
SMILESCl.NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H37BrNP.ClH/c29-31(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-30;/h7-15,18-23H,1-6,16-17,24-25,30H2;1H
InChIKeyBXFFSTLUGLSRAY-UHFFFAOYSA-N
MW534.95 g/mol
LogP7.33
Rot. Bonds13

About 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride

10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride (PubChem CID 171509465) has the molecular formula C28H38BrClNP and a molecular weight of 534.95 g/mol. Its IUPAC name is 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride.

Molecular Properties

Compound Name10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
PubChem CID171509465
Molecular FormulaC28H38BrClNP
Molecular Weight534.95 g/mol
Exact Mass533.16
IUPAC Name10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
SMILESCl.NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H37BrNP.ClH/c29-31(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-30;/h7-15,18-23H,1-6,16-17,24-25,30H2;1H
InChIKeyBXFFSTLUGLSRAY-UHFFFAOYSA-N
XLogP7.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.95
LogP ≤ 57.33
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 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride?
The IUPAC name of 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride (CID 171509465) is 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride.
What is the SMILES notation for 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride?
The canonical SMILES for 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride is Cl.NCCCCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride?
The InChIKey is BXFFSTLUGLSRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37BrNP.ClH/c29-31(26-18-10-7-11-19-26,27-20-12-8-13-21-27,28-22-14-9-15-23-28)25-17-6-4-2-1-3-5-16-24-30;/h7-15,18-23H,1-6,16-17,24-25,30H2;1H.
What are the key properties of 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride?
10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride has a molecular weight of 534.95 g/mol, XLogP of 7.33, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride is sourced from PubChem (CID 171509465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).