[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)

C19H34Cl3CrN3OP+ — CID 147989964

IUPAC[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
SMILESCNN=C(N[PH+](C(C)C)C(C)C)c1ccc(C)cc1.Cl[Cr+](Cl)Cl.[CH-]1CCCO1
InChIInChI=1S/C15H26N3P.C4H7O.3ClH.Cr/c1-11(2)19(12(3)4)18-15(17-16-6)14-9-7-13(5)8-10-14;1-2-4-5-3-1;;;;/h7-12,16H,1-6H3,(H,17,18);3H,1-2,4H2;3*1H;/q;-1;;;;+4/p-2
InChIKeyRPIDRTBHDLIGMA-UHFFFAOYSA-L
MW509.83 g/mol
LogP6.44
Rot. Bonds5

About [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)

[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) (PubChem CID 147989964) has the molecular formula C19H34Cl3CrN3OP+ and a molecular weight of 509.83 g/mol. Its IUPAC name is [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+).

Molecular Properties

Compound Name[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
PubChem CID147989964
Molecular FormulaC19H34Cl3CrN3OP+
Molecular Weight509.83 g/mol
Exact Mass508.09
IUPAC Name[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
SMILESCNN=C(N[PH+](C(C)C)C(C)C)c1ccc(C)cc1.Cl[Cr+](Cl)Cl.[CH-]1CCCO1
InChIInChI=1S/C15H26N3P.C4H7O.3ClH.Cr/c1-11(2)19(12(3)4)18-15(17-16-6)14-9-7-13(5)8-10-14;1-2-4-5-3-1;;;;/h7-12,16H,1-6H3,(H,17,18);3H,1-2,4H2;3*1H;/q;-1;;;;+4/p-2
InChIKeyRPIDRTBHDLIGMA-UHFFFAOYSA-L
XLogP6.44
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.83
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[[N-(4-tert-butyl-2,6-dimethylphenyl)-C-(4-methylphenyl)carbonimidoyl]amino]-diethylphosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)
CID 140602053
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N,N'-diamino-4-methylbenzenecarboximidamide
CID 15721498
(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
CID 10977676
N-di(propan-2-yl)phosphanyl-N',4-dimethylbenzenecarboximidamide
CID 67297899
4-bromo-N'-methyl-N-(4-methylphenyl)benzenecarboximidamide
CID 3326849
(2S)-4-(4-methylanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoic acid
CID 791020
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
CID 171323405
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
carbanide;heptakis(chromium(2+));bis([[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-diphenylphosphanium);[[N-(2,6-dimethylphenyl)-C-phenylcarbonimidoyl]amino]-di(propan-2-yl)phosphanium;bis(diphenyl-[[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]phosphanium);bis([[C-phenyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium)
CID 159971299
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562

Frequently Asked Questions

What is the IUPAC name of [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?
The IUPAC name of [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) (CID 147989964) is [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+).
What is the SMILES notation for [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?
The canonical SMILES for [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) is CNN=C(N[PH+](C(C)C)C(C)C)c1ccc(C)cc1.Cl[Cr+](Cl)Cl.[CH-]1CCCO1.
What is the InChIKey of [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?
The InChIKey is RPIDRTBHDLIGMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H26N3P.C4H7O.3ClH.Cr/c1-11(2)19(12(3)4)18-15(17-16-6)14-9-7-13(5)8-10-14;1-2-4-5-3-1;;;;/h7-12,16H,1-6H3,(H,17,18);3H,1-2,4H2;3*1H;/q;-1;;;;+4/p-2.
What are the key properties of [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+)?
[[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) has a molecular weight of 509.83 g/mol, XLogP of 6.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[N-(methylamino)-C-(4-methylphenyl)carbonimidoyl]amino]-di(propan-2-yl)phosphanium;2,3,4,5-tetrahydrofuran-5-ide;trichlorochromium(1+) is sourced from PubChem (CID 147989964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).