bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium

C16H28Cl2N2O2Ti-2 — CID 173239704

IUPACbis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium
SMILESC[N-]C(=O)C1CCCCC1.C[N-]C(=O)C1CCCCC1.Cl[Ti]Cl
InChIInChI=1S/2C8H15NO.2ClH.Ti/c2*1-9-8(10)7-5-3-2-4-6-7;;;/h2*7H,2-6H2,1H3,(H,9,10);2*1H;/q;;;;+2/p-4
InChIKeyNVPVJSYYKZNJFL-UHFFFAOYSA-J
MW399.19 g/mol
LogP5.57
Rot. Bonds2

About bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium

bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium (PubChem CID 173239704) has the molecular formula C16H28Cl2N2O2Ti-2 and a molecular weight of 399.19 g/mol. Its IUPAC name is bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium.

Molecular Properties

Compound Namebis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium
PubChem CID173239704
Molecular FormulaC16H28Cl2N2O2Ti-2
Molecular Weight399.19 g/mol
Exact Mass398.10
IUPAC Namebis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium
SMILESC[N-]C(=O)C1CCCCC1.C[N-]C(=O)C1CCCCC1.Cl[Ti]Cl
InChIInChI=1S/2C8H15NO.2ClH.Ti/c2*1-9-8(10)7-5-3-2-4-6-7;;;/h2*7H,2-6H2,1H3,(H,9,10);2*1H;/q;;;;+2/p-4
InChIKeyNVPVJSYYKZNJFL-UHFFFAOYSA-J
XLogP5.57
TPSA62.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.19
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclotetracosanecarboxylic acid
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cyclooctadecane-1,7,13-tricarboxylic acid
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2,2-dichloro-1-cycloheptylethanone
CID 45081064
S-methyl cycloundecanecarbothioate
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cycloheptanecarboxylic acid;indigane
CID 173230239
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Frequently Asked Questions

What is the IUPAC name of bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium?
The IUPAC name of bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium (CID 173239704) is bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium.
What is the SMILES notation for bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium?
The canonical SMILES for bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium is C[N-]C(=O)C1CCCCC1.C[N-]C(=O)C1CCCCC1.Cl[Ti]Cl.
What is the InChIKey of bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium?
The InChIKey is NVPVJSYYKZNJFL-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H15NO.2ClH.Ti/c2*1-9-8(10)7-5-3-2-4-6-7;;;/h2*7H,2-6H2,1H3,(H,9,10);2*1H;/q;;;;+2/p-4.
What are the key properties of bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium?
bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium has a molecular weight of 399.19 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexanecarbonyl(methyl)azanide);dichlorotitanium is sourced from PubChem (CID 173239704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).