[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)

C12H17NTi+2 — CID 11564443

IUPAC[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
SMILESCC(C)c1cccc(C(C)C)c1N=[Ti+2]
InChIInChI=1S/C12H17N.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h5-9H,1-4H3;/q;+2
InChIKeyRRPWAKPBQIGNQI-UHFFFAOYSA-N
MW223.14 g/mol
LogP4.30
Rot. Bonds3

About [2,6-di(propan-2-yl)phenyl]iminotitanium(2+)

[2,6-di(propan-2-yl)phenyl]iminotitanium(2+) (PubChem CID 11564443) has the molecular formula C12H17NTi+2 and a molecular weight of 223.14 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]iminotitanium(2+).

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
PubChem CID11564443
Molecular FormulaC12H17NTi+2
Molecular Weight223.14 g/mol
Exact Mass223.08
IUPAC Name[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
SMILESCC(C)c1cccc(C(C)C)c1N=[Ti+2]
InChIInChI=1S/C12H17N.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h5-9H,1-4H3;/q;+2
InChIKeyRRPWAKPBQIGNQI-UHFFFAOYSA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
CID 177456396
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155
8-propan-2-ylnaphthalen-1-ol
CID 10465049
N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 20647689
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]iminotitanium(2+)?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]iminotitanium(2+) (CID 11564443) is [2,6-di(propan-2-yl)phenyl]iminotitanium(2+).
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]iminotitanium(2+)?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]iminotitanium(2+) is CC(C)c1cccc(C(C)C)c1N=[Ti+2].
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]iminotitanium(2+)?
The InChIKey is RRPWAKPBQIGNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h5-9H,1-4H3;/q;+2.
What are the key properties of [2,6-di(propan-2-yl)phenyl]iminotitanium(2+)?
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+) has a molecular weight of 223.14 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]iminotitanium(2+) is sourced from PubChem (CID 11564443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).