N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide

C21H23N2P — CID 129290827

IUPACN'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide
SMILESN/C(=N\CCP(c1ccccc1)c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C21H23N2P/c22-21(18-10-4-1-5-11-18)23-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-10,12-15,18H,11,16-17H2,(H2,22,23)
InChIKeyGYVSYHCXZZUVAK-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.61
Rot. Bonds6

About N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide

N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 129290827) has the molecular formula C21H23N2P and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID129290827
Molecular FormulaC21H23N2P
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC NameN'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide
SMILESN/C(=N\CCP(c1ccccc1)c1ccccc1)C1C=CC=CC1
InChIInChI=1S/C21H23N2P/c22-21(18-10-4-1-5-11-18)23-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-10,12-15,18H,11,16-17H2,(H2,22,23)
InChIKeyGYVSYHCXZZUVAK-UHFFFAOYSA-N
XLogP3.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide (CID 129290827) is N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide is N/C(=N\CCP(c1ccccc1)c1ccccc1)C1C=CC=CC1.
What is the InChIKey of N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is GYVSYHCXZZUVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N2P/c22-21(18-10-4-1-5-11-18)23-16-17-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-10,12-15,18H,11,16-17H2,(H2,22,23).
What are the key properties of N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide?
N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 334.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-diphenylphosphanylethyl)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 129290827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).