methyl-phenylimino-di(propan-2-yl)-λ5-phosphane

C13H22NP — CID 101188333

IUPACmethyl-phenylimino-di(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(C)(=Nc1ccccc1)C(C)C
InChIInChI=1S/C13H22NP/c1-11(2)15(5,12(3)4)14-13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeySPFPNXULXSXNFS-UHFFFAOYSA-N
MW223.30 g/mol
LogP4.97
Rot. Bonds3

About methyl-phenylimino-di(propan-2-yl)-λ5-phosphane

methyl-phenylimino-di(propan-2-yl)-λ5-phosphane (PubChem CID 101188333) has the molecular formula C13H22NP and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl-phenylimino-di(propan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Namemethyl-phenylimino-di(propan-2-yl)-λ5-phosphane
PubChem CID101188333
Molecular FormulaC13H22NP
Molecular Weight223.30 g/mol
Exact Mass223.15
IUPAC Namemethyl-phenylimino-di(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(C)(=Nc1ccccc1)C(C)C
InChIInChI=1S/C13H22NP/c1-11(2)15(5,12(3)4)14-13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeySPFPNXULXSXNFS-UHFFFAOYSA-N
XLogP4.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-phenylimino-di(propan-2-yl)-λ5-phosphane?
The IUPAC name of methyl-phenylimino-di(propan-2-yl)-λ5-phosphane (CID 101188333) is methyl-phenylimino-di(propan-2-yl)-λ5-phosphane.
What is the SMILES notation for methyl-phenylimino-di(propan-2-yl)-λ5-phosphane?
The canonical SMILES for methyl-phenylimino-di(propan-2-yl)-λ5-phosphane is CC(C)P(C)(=Nc1ccccc1)C(C)C.
What is the InChIKey of methyl-phenylimino-di(propan-2-yl)-λ5-phosphane?
The InChIKey is SPFPNXULXSXNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NP/c1-11(2)15(5,12(3)4)14-13-9-7-6-8-10-13/h6-12H,1-5H3.
What are the key properties of methyl-phenylimino-di(propan-2-yl)-λ5-phosphane?
methyl-phenylimino-di(propan-2-yl)-λ5-phosphane has a molecular weight of 223.30 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenylimino-di(propan-2-yl)-λ5-phosphane is sourced from PubChem (CID 101188333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).