1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide

C19H25N2P — CID 6396044

IUPAC1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide
SMILESCC(C)/N=C(\NC(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2P/c1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,20,21)
InChIKeyUPDPRDMMRWPXME-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.88
Rot. Bonds5

About 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide

1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide (PubChem CID 6396044) has the molecular formula C19H25N2P and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide.

Molecular Properties

Compound Name1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide
PubChem CID6396044
Molecular FormulaC19H25N2P
Molecular Weight312.40 g/mol
Exact Mass312.18
IUPAC Name1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide
SMILESCC(C)/N=C(\NC(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2P/c1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,20,21)
InChIKeyUPDPRDMMRWPXME-UHFFFAOYSA-N
XLogP3.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.88
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 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide?
The IUPAC name of 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide (CID 6396044) is 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide.
What is the SMILES notation for 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide?
The canonical SMILES for 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide is CC(C)/N=C(\NC(C)C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide?
The InChIKey is UPDPRDMMRWPXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2P/c1-15(2)20-19(21-16(3)4)22(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3,(H,20,21).
What are the key properties of 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide?
1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide has a molecular weight of 312.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-N,N'-di(propan-2-yl)methanimidamide is sourced from PubChem (CID 6396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).