1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine

C16H26NP — CID 159340779

IUPAC1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26NP/c1-15(2,3)18(16(4,5)6)14(17-7)13-11-9-8-10-12-13/h8-12H,1-7H3/b17-14+
InChIKeyLGCODGSWBPBBDW-SAPNQHFASA-N
MW263.36 g/mol
LogP5.14
Rot. Bonds2

About 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine

1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine (PubChem CID 159340779) has the molecular formula C16H26NP and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine.

Molecular Properties

Compound Name1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
PubChem CID159340779
Molecular FormulaC16H26NP
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H26NP/c1-15(2,3)18(16(4,5)6)14(17-7)13-11-9-8-10-12-13/h8-12H,1-7H3/b17-14+
InChIKeyLGCODGSWBPBBDW-SAPNQHFASA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl(1,1-diphenylprop-1-en-2-yl)phosphane
CID 12010825
methyl N-methylbenzenecarboximidate
CID 519475
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
ethene;N'-methylbenzenecarboximidamide
CID 142294327
(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
CID 134240332
2,2-dimethylpropane;diphenylmethanone
CID 159191976
benzhydrylidenenickel;ditert-butyl(2-ditert-butylphosphanylethyl)phosphane
CID 11410157
N-methyl-1-[3-[[3-(N-methyl-C-phenylcarbonimidoyl)phenyl]-(4-phenylphenyl)boranyl]phenyl]-1-phenylmethanimine
CID 140599041
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
benzoic acid;methanol
CID 67901482
1-di(propan-2-yl)phosphanyl-N,1-diphenylmethanimine
CID 122373224

Frequently Asked Questions

What is the IUPAC name of 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine?
The IUPAC name of 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine (CID 159340779) is 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine.
What is the SMILES notation for 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine?
The canonical SMILES for 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine is C/N=C(\c1ccccc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine?
The InChIKey is LGCODGSWBPBBDW-SAPNQHFASA-N. The full InChI is InChI=1S/C16H26NP/c1-15(2,3)18(16(4,5)6)14(17-7)13-11-9-8-10-12-13/h8-12H,1-7H3/b17-14+.
What are the key properties of 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine?
1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine has a molecular weight of 263.36 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ditert-butylphosphanyl-N-methyl-1-phenylmethanimine is sourced from PubChem (CID 159340779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).