tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride

C20H48ClN12P — CID 160570249

IUPACtetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
SMILESCN(C)C(=N[P+](N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C20H48N12P.ClH/c1-25(2)17(26(3)4)21-33(22-18(27(5)6)28(7)8,23-19(29(9)10)30(11)12)24-20(31(13)14)32(15)16;/h1-16H3;1H/q+1;/p-1
InChIKeyKDBIDRCRSIWENP-UHFFFAOYSA-M
MW523.12 g/mol
LogP-2.42
Rot. Bonds4

About tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride

tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride (PubChem CID 160570249) has the molecular formula C20H48ClN12P and a molecular weight of 523.12 g/mol. Its IUPAC name is tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride.

Molecular Properties

Compound Nametetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
PubChem CID160570249
Molecular FormulaC20H48ClN12P
Molecular Weight523.12 g/mol
Exact Mass522.36
IUPAC Nametetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
SMILESCN(C)C(=N[P+](N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C20H48N12P.ClH/c1-25(2)17(26(3)4)21-33(22-18(27(5)6)28(7)8,23-19(29(9)10)30(11)12)24-20(31(13)14)32(15)16;/h1-16H3;1H/q+1;/p-1
InChIKeyKDBIDRCRSIWENP-UHFFFAOYSA-M
XLogP-2.42
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.12
LogP ≤ 5-2.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 155632794
CID 155632794
[bis(dimethylamino)methylideneamino]-trimethylazanium
CID 145088193
N,N-dimethylacetamide;yttrium
CID 59870405
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431
[[amino(dimethylamino)methylidene]amino]-trihydroxyphosphanium
CID 146807704
1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
CID 91478563
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
CID 58112258
2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine
CID 102125400
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
CID 90350369
CID 155632790
CID 155632790
methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride
CID 175066147
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185

Frequently Asked Questions

What is the IUPAC name of tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride?
The IUPAC name of tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride (CID 160570249) is tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride.
What is the SMILES notation for tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride?
The canonical SMILES for tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride is CN(C)C(=N[P+](N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)N(C)C.[Cl-].
What is the InChIKey of tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride?
The InChIKey is KDBIDRCRSIWENP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H48N12P.ClH/c1-25(2)17(26(3)4)21-33(22-18(27(5)6)28(7)8,23-19(29(9)10)30(11)12)24-20(31(13)14)32(15)16;/h1-16H3;1H/q+1;/p-1.
What are the key properties of tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride?
tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride has a molecular weight of 523.12 g/mol, XLogP of -2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride is sourced from PubChem (CID 160570249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).