bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium

C16H32N4Ti — CID 159257607

IUPACbis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
SMILESCC(C)/N=C/C=N/C(C)C.CC(C)/N=C/C=N/C(C)C.[Ti]
InChIInChI=1S/2C8H16N2.Ti/c2*1-7(2)9-5-6-10-8(3)4;/h2*5-8H,1-4H3;/b2*9-5+,10-6+;
InChIKeyKWCDABWZNXRBBA-RAUUXQRVSA-N
MW328.33 g/mol
LogP3.89
Rot. Bonds6

About bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium

bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium (PubChem CID 159257607) has the molecular formula C16H32N4Ti and a molecular weight of 328.33 g/mol. Its IUPAC name is bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium.

Molecular Properties

Compound Namebis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
PubChem CID159257607
Molecular FormulaC16H32N4Ti
Molecular Weight328.33 g/mol
Exact Mass328.21
IUPAC Namebis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
SMILESCC(C)/N=C/C=N/C(C)C.CC(C)/N=C/C=N/C(C)C.[Ti]
InChIInChI=1S/2C8H16N2.Ti/c2*1-7(2)9-5-6-10-8(3)4;/h2*5-8H,1-4H3;/b2*9-5+,10-6+;
InChIKeyKWCDABWZNXRBBA-RAUUXQRVSA-N
XLogP3.89
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);nickel
CID 174052217
benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
CID 159955538
(E)-N-propan-2-yl-3-trimethylsilylprop-2-en-1-imine
CID 13378778
N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
CID 610573
methane;N-propan-2-ylethanimine
CID 159100723
N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine
CID 102501008
2-propan-2-yliminoethanamine
CID 163684613
3-[propan-2-yl(3-propan-2-yliminopropyl)amino]propanal
CID 146227116
1-propan-2-ylimino-2-trimethylsilylbutan-2-ol
CID 140784647
N'-(1-methoxyethyl)-N-methylethane-1,2-diimine
CID 163808550
sodium;carbanide;carbon monoxide;cobalt;cobalt(2+);bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);hydride;iodoruthenium(3+);methanol;methanone;oxolane;ruthenium(3+)
CID 162184204
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310

Frequently Asked Questions

What is the IUPAC name of bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium?
The IUPAC name of bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium (CID 159257607) is bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium.
What is the SMILES notation for bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium?
The canonical SMILES for bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium is CC(C)/N=C/C=N/C(C)C.CC(C)/N=C/C=N/C(C)C.[Ti].
What is the InChIKey of bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium?
The InChIKey is KWCDABWZNXRBBA-RAUUXQRVSA-N. The full InChI is InChI=1S/2C8H16N2.Ti/c2*1-7(2)9-5-6-10-8(3)4;/h2*5-8H,1-4H3;/b2*9-5+,10-6+;.
What are the key properties of bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium?
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium has a molecular weight of 328.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium is sourced from PubChem (CID 159257607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).