(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine

C25H28NOP — CID 5461276

IUPAC(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine
SMILESC/C=C/C(C)(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-4-20-25(2,3)24(21-14-8-5-9-15-21)26-28(27,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h4-20,24H,1-3H3,(H,26,27)/b20-4+
InChIKeyOTTJNDQXIADKGM-LRNAUUFOSA-N
MW389.48 g/mol
LogP5.85
Rot. Bonds7

About (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine

(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine (PubChem CID 5461276) has the molecular formula C25H28NOP and a molecular weight of 389.48 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine
PubChem CID5461276
Molecular FormulaC25H28NOP
Molecular Weight389.48 g/mol
Exact Mass389.19
IUPAC Name(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine
SMILESC/C=C/C(C)(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-4-20-25(2,3)24(21-14-8-5-9-15-21)26-28(27,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h4-20,24H,1-3H3,(H,26,27)/b20-4+
InChIKeyOTTJNDQXIADKGM-LRNAUUFOSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831
(2S,3R)-3-(diphenylphosphorylamino)-2-fluoro-2,3-diphenylpropanenitrile
CID 138978103
2,2,2-trichloro-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 122369834
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
N-diphenylphosphoryl-1-(furan-2-yl)-2-methylbut-3-en-1-amine
CID 132838677
4-[1-(diphenylphosphorylamino)-2,2-difluoro-3-oxobutyl]benzonitrile
CID 134849768
(1S)-N-diphenylphosphoryl-1-(3-methylphenyl)ethanamine
CID 101267694
(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine
CID 101226824
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
CID 10520391
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine?
The IUPAC name of (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine (CID 5461276) is (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine?
The canonical SMILES for (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine is C/C=C/C(C)(C)C(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine?
The InChIKey is OTTJNDQXIADKGM-LRNAUUFOSA-N. The full InChI is InChI=1S/C25H28NOP/c1-4-20-25(2,3)24(21-14-8-5-9-15-21)26-28(27,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h4-20,24H,1-3H3,(H,26,27)/b20-4+.
What are the key properties of (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine?
(E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine has a molecular weight of 389.48 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-2,2-dimethyl-1-phenylpent-3-en-1-amine is sourced from PubChem (CID 5461276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).