methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride

C5H12Cl2N3Ti — CID 175066147

IUPACmethyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride
SMILESC/N=C(/[N-]C)N(C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H12N3.2ClH.Ti/c1-6-5(7-2)8(3)4;;;/h1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyXWWQXKZXLPTDFD-UHFFFAOYSA-L
MW232.94 g/mol
LogP-5.46
Rot. Bonds

About methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride

methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride (PubChem CID 175066147) has the molecular formula C5H12Cl2N3Ti and a molecular weight of 232.94 g/mol. Its IUPAC name is methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride.

Molecular Properties

Compound Namemethyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride
PubChem CID175066147
Molecular FormulaC5H12Cl2N3Ti
Molecular Weight232.94 g/mol
Exact Mass231.99
IUPAC Namemethyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride
SMILESC/N=C(/[N-]C)N(C)C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C5H12N3.2ClH.Ti/c1-6-5(7-2)8(3)4;;;/h1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyXWWQXKZXLPTDFD-UHFFFAOYSA-L
XLogP-5.46
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.94
LogP ≤ 5-5.46
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'}

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Related Compounds

(C,N-dimethylcarbonimidoyl)-methylazanide;tungsten
CID 58400091
tetrakis[bis(dimethylamino)methylideneamino]phosphanium chloride
CID 160570249
2-(hydroxyamino)-N,N-dimethyl-2-methyliminoacetamide
CID 144893888
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431
N,N,N',2-tetramethylpropanimidamide
CID 22088148
(N,N,N'-trimethylcarbamimidoyl)urea
CID 163885409
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
1,1,3-trimethyl-3-(N'-methylcarbamimidoyl)guanidine
CID 86292533
copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
1,1-dimethyl-2-pyrimidin-2-ylguanidine
CID 50988937
dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
CID 162639278

Frequently Asked Questions

What is the IUPAC name of methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride?
The IUPAC name of methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride (CID 175066147) is methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride.
What is the SMILES notation for methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride?
The canonical SMILES for methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride is C/N=C(/[N-]C)N(C)C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride?
The InChIKey is XWWQXKZXLPTDFD-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12N3.2ClH.Ti/c1-6-5(7-2)8(3)4;;;/h1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride?
methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride has a molecular weight of 232.94 g/mol, XLogP of -5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(N,N,N'-trimethylcarbamimidoyl)azanide;titanium(3+);dichloride is sourced from PubChem (CID 175066147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).