N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide

C20H27N2P — CID 23420494

IUPACN'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)C(CP(c1ccccc1)c1ccccc1)/N=C/N(C)C
InChIInChI=1S/C20H27N2P/c1-17(2)20(21-16-22(3)4)15-23(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/b21-16+
InChIKeyRJRGZKSNUYPJSR-LTGZKZEYSA-N
MW326.42 g/mol
LogP3.73
Rot. Bonds7

About N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide

N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 23420494) has the molecular formula C20H27N2P and a molecular weight of 326.42 g/mol. Its IUPAC name is N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
PubChem CID23420494
Molecular FormulaC20H27N2P
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC NameN'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)C(CP(c1ccccc1)c1ccccc1)/N=C/N(C)C
InChIInChI=1S/C20H27N2P/c1-17(2)20(21-16-22(3)4)15-23(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/b21-16+
InChIKeyRJRGZKSNUYPJSR-LTGZKZEYSA-N
XLogP3.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
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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Related Compounds

(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
CID 15145880
(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
2-methoxypropyl(diphenyl)phosphane
CID 23413688
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 101430602
(2S)-1-diphenylphosphanyl-3-methyl-N-[(E)-2-phenylpropylideneamino]butan-2-amine
CID 11047705
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
CID 11725380
N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
CID 11240893
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
CID 11967242
2-diphenylphosphanyl-1-trimethylsilylethanamine
CID 174337828

Frequently Asked Questions

What is the IUPAC name of N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide (CID 23420494) is N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide is CC(C)C(CP(c1ccccc1)c1ccccc1)/N=C/N(C)C.
What is the InChIKey of N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is RJRGZKSNUYPJSR-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H27N2P/c1-17(2)20(21-16-22(3)4)15-23(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20H,15H2,1-4H3/b21-16+.
What are the key properties of N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide?
N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 326.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 23420494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).