cyclooctylazanide;titanium

C8H16NTi- — CID 151917026

IUPACcyclooctylazanide;titanium
SMILES[NH-]C1CCCCCCC1.[Ti]
InChIInChI=1S/C8H16N.Ti/c9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2;/q-1;
InChIKeyYLMSLKURGYEWPG-UHFFFAOYSA-N
MW174.09 g/mol
LogP3.15
Rot. Bonds

About cyclooctylazanide;titanium

cyclooctylazanide;titanium (PubChem CID 151917026) has the molecular formula C8H16NTi- and a molecular weight of 174.09 g/mol. Its IUPAC name is cyclooctylazanide;titanium.

Molecular Properties

Compound Namecyclooctylazanide;titanium
PubChem CID151917026
Molecular FormulaC8H16NTi-
Molecular Weight174.09 g/mol
Exact Mass174.08
IUPAC Namecyclooctylazanide;titanium
SMILES[NH-]C1CCCCCCC1.[Ti]
InChIInChI=1S/C8H16N.Ti/c9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2;/q-1;
InChIKeyYLMSLKURGYEWPG-UHFFFAOYSA-N
XLogP3.15
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclooctylazanide;titanium?
The IUPAC name of cyclooctylazanide;titanium (CID 151917026) is cyclooctylazanide;titanium.
What is the SMILES notation for cyclooctylazanide;titanium?
The canonical SMILES for cyclooctylazanide;titanium is [NH-]C1CCCCCCC1.[Ti].
What is the InChIKey of cyclooctylazanide;titanium?
The InChIKey is YLMSLKURGYEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.Ti/c9-8-6-4-2-1-3-5-7-8;/h8-9H,1-7H2;/q-1;.
What are the key properties of cyclooctylazanide;titanium?
cyclooctylazanide;titanium has a molecular weight of 174.09 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctylazanide;titanium is sourced from PubChem (CID 151917026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).