1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)

C9H19Cl3N2Ti — CID 139760025

IUPAC1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)
SMILESCN1CCCC[N-]CCCC1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C9H19N2.3ClH.Ti/c1-11-8-4-2-6-10-7-3-5-9-11;;;;/h2-9H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyOZWFEXOKFCPILM-UHFFFAOYSA-K
MW309.49 g/mol
LogP3.93
Rot. Bonds

About 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)

1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+) (PubChem CID 139760025) has the molecular formula C9H19Cl3N2Ti and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+).

Molecular Properties

Compound Name1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)
PubChem CID139760025
Molecular FormulaC9H19Cl3N2Ti
Molecular Weight309.49 g/mol
Exact Mass308.01
IUPAC Name1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)
SMILESCN1CCCC[N-]CCCC1.Cl[Ti+](Cl)Cl
InChIInChI=1S/C9H19N2.3ClH.Ti/c1-11-8-4-2-6-10-7-3-5-9-11;;;;/h2-9H2,1H3;3*1H;/q-1;;;;+4/p-3
InChIKeyOZWFEXOKFCPILM-UHFFFAOYSA-K
XLogP3.93
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)?
The IUPAC name of 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+) (CID 139760025) is 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+).
What is the SMILES notation for 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)?
The canonical SMILES for 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+) is CN1CCCC[N-]CCCC1.Cl[Ti+](Cl)Cl.
What is the InChIKey of 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)?
The InChIKey is OZWFEXOKFCPILM-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H19N2.3ClH.Ti/c1-11-8-4-2-6-10-7-3-5-9-11;;;;/h2-9H2,1H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+)?
1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+) has a molecular weight of 309.49 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-aza-6-azanidacyclodecane;trichlorotitanium(1+) is sourced from PubChem (CID 139760025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).