N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine

C26H30NPSe — CID 132533081

IUPACN-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine
SMILESC=CCNC(c1ccccc1)P(=[Se])(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H30NPSe/c1-2-20-27-26(25-16-10-5-11-17-25)28(29,21-18-23-12-6-3-7-13-23)22-19-24-14-8-4-9-15-24/h2-17,26-27H,1,18-22H2
InChIKeyCYHINVAMMSMBDQ-UHFFFAOYSA-N
MW466.47 g/mol
LogP6.05
Rot. Bonds11

About N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine

N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine (PubChem CID 132533081) has the molecular formula C26H30NPSe and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine
PubChem CID132533081
Molecular FormulaC26H30NPSe
Molecular Weight466.47 g/mol
Exact Mass467.13
IUPAC NameN-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine
SMILESC=CCNC(c1ccccc1)P(=[Se])(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H30NPSe/c1-2-20-27-26(25-16-10-5-11-17-25)28(29,21-18-23-12-6-3-7-13-23)22-19-24-14-8-4-9-15-24/h2-17,26-27H,1,18-22H2
InChIKeyCYHINVAMMSMBDQ-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
4-phenyl-2-(prop-2-enylamino)butanenitrile
CID 62880086
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
N-(2,2,2-trifluoro-1-phenylethyl)prop-2-en-1-amine
CID 62046108
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
(1S,2R)-2-nitro-1,3-diphenyl-N-prop-2-enylpropan-1-amine
CID 59053233
bis(2-phenylethyl)-selanylidene-selenido-λ5-phosphane
CID 46910600
N-[bis(2-phenylethyl)phosphinoselenoyl]-2-ethenoxyethanamine
CID 102455976
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
N-[ethoxy(phenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 175308100
diphenyl-(2-phenylethyl)-selanylidene-λ5-phosphane
CID 132605440

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine?
The IUPAC name of N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine (CID 132533081) is N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine?
The canonical SMILES for N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine is C=CCNC(c1ccccc1)P(=[Se])(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine?
The InChIKey is CYHINVAMMSMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NPSe/c1-2-20-27-26(25-16-10-5-11-17-25)28(29,21-18-23-12-6-3-7-13-23)22-19-24-14-8-4-9-15-24/h2-17,26-27H,1,18-22H2.
What are the key properties of N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine?
N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine has a molecular weight of 466.47 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-phenylethyl)phosphinoselenoyl-phenylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 132533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).