1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride

C9H20ClN3Ti — CID 22113549

IUPAC1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
SMILESC1C[N-]CCCNCCCNC1.[Cl-].[Ti+2]
InChIInChI=1S/C9H20N3.ClH.Ti/c1-4-10-6-2-8-12-9-3-7-11-5-1;;/h10-11H,1-9H2;1H;/q-1;;+2/p-1
InChIKeyQTTMERYEUVVUKR-UHFFFAOYSA-M
MW253.60 g/mol
LogP-2.28
Rot. Bonds

About 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride

1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride (PubChem CID 22113549) has the molecular formula C9H20ClN3Ti and a molecular weight of 253.60 g/mol. Its IUPAC name is 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride.

Molecular Properties

Compound Name1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
PubChem CID22113549
Molecular FormulaC9H20ClN3Ti
Molecular Weight253.60 g/mol
Exact Mass253.08
IUPAC Name1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride
SMILESC1C[N-]CCCNCCCNC1.[Cl-].[Ti+2]
InChIInChI=1S/C9H20N3.ClH.Ti/c1-4-10-6-2-8-12-9-3-7-11-5-1;;/h10-11H,1-9H2;1H;/q-1;;+2/p-1
InChIKeyQTTMERYEUVVUKR-UHFFFAOYSA-M
XLogP-2.28
TPSA38.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.60
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride?
The IUPAC name of 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride (CID 22113549) is 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride.
What is the SMILES notation for 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride?
The canonical SMILES for 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride is C1C[N-]CCCNCCCNC1.[Cl-].[Ti+2].
What is the InChIKey of 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride?
The InChIKey is QTTMERYEUVVUKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N3.ClH.Ti/c1-4-10-6-2-8-12-9-3-7-11-5-1;;/h10-11H,1-9H2;1H;/q-1;;+2/p-1.
What are the key properties of 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride?
1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride has a molecular weight of 253.60 g/mol, XLogP of -2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaza-9-azanidacyclododecane;titanium(2+);chloride is sourced from PubChem (CID 22113549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).