bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride

C12H29Cl3N3PTi — CID 101136574

IUPACbis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride
SMILESCC(C)N(C(C)C)P([NH-])N(C(C)C)C(C)C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C12H29N3P.3ClH.Ti/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8;;;;/h9-13H,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeySMGNIJDGVKPVKL-UHFFFAOYSA-K
MW400.59 g/mol
LogP-4.49
Rot. Bonds6

About bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride

bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride (PubChem CID 101136574) has the molecular formula C12H29Cl3N3PTi and a molecular weight of 400.59 g/mol. Its IUPAC name is bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride.

Molecular Properties

Compound Namebis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride
PubChem CID101136574
Molecular FormulaC12H29Cl3N3PTi
Molecular Weight400.59 g/mol
Exact Mass399.06
IUPAC Namebis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride
SMILESCC(C)N(C(C)C)P([NH-])N(C(C)C)C(C)C.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C12H29N3P.3ClH.Ti/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8;;;;/h9-13H,1-8H3;3*1H;/q-1;;;;+4/p-3
InChIKeySMGNIJDGVKPVKL-UHFFFAOYSA-K
XLogP-4.49
TPSA30.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 5-4.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[di(propan-2-yl)amino]-iodophosphanyl]-N-propan-2-ylpropan-2-amine
CID 14296264
N-[dimethylamino(methyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 57028842
N,N-dimethylpropan-2-amine;ethane
CID 143195472
N-[bis(trichloromethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 2305215
tetrakis(propan-2-ylazanide);titanium(4+)
CID 18761131
N-[chloro(ethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14867282
propan-2-ylaluminum(2+);dichloride;dihydrobromide
CID 172840224
2-methanidylpropane;titanium(4+);trichloride
CID 174197579
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
propan-2-ol;titanium(4+);tetrachloride
CID 157071877
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxyprop-2-enenitrile
CID 142728419
N-[1-chlorobutyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
CID 14249300

Frequently Asked Questions

What is the IUPAC name of bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride?
The IUPAC name of bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride (CID 101136574) is bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride.
What is the SMILES notation for bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride?
The canonical SMILES for bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride is CC(C)N(C(C)C)P([NH-])N(C(C)C)C(C)C.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride?
The InChIKey is SMGNIJDGVKPVKL-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H29N3P.3ClH.Ti/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8;;;;/h9-13H,1-8H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride?
bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride has a molecular weight of 400.59 g/mol, XLogP of -4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[di(propan-2-yl)amino]phosphanylazanide;titanium(4+);trichloride is sourced from PubChem (CID 101136574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).