1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride

C7H16Cl2N3Ti — CID 161028196

IUPAC1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
SMILESCN1CC[N-]CCNCC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C7H16N3.2ClH.Ti/c1-10-6-4-8-2-3-9-5-7-10;;;/h8H,2-7H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyTZGOWHSXXOZWKN-UHFFFAOYSA-L
MW261.00 g/mol
LogP-6.10
Rot. Bonds

About 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride

1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride (PubChem CID 161028196) has the molecular formula C7H16Cl2N3Ti and a molecular weight of 261.00 g/mol. Its IUPAC name is 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride.

Molecular Properties

Compound Name1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
PubChem CID161028196
Molecular FormulaC7H16Cl2N3Ti
Molecular Weight261.00 g/mol
Exact Mass260.02
IUPAC Name1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride
SMILESCN1CC[N-]CCNCC1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C7H16N3.2ClH.Ti/c1-10-6-4-8-2-3-9-5-7-10;;;/h8H,2-7H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyTZGOWHSXXOZWKN-UHFFFAOYSA-L
XLogP-6.10
TPSA29.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.00
LogP ≤ 5-6.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride?
The IUPAC name of 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride (CID 161028196) is 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride.
What is the SMILES notation for 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride?
The canonical SMILES for 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride is CN1CC[N-]CCNCC1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride?
The InChIKey is TZGOWHSXXOZWKN-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H16N3.2ClH.Ti/c1-10-6-4-8-2-3-9-5-7-10;;;/h8H,2-7H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride?
1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride has a molecular weight of 261.00 g/mol, XLogP of -6.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4-diaza-7-azanidacyclononane;titanium(3+);dichloride is sourced from PubChem (CID 161028196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).