1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium

C11H23Cl2N3Ti — CID 175061175

IUPAC1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium
SMILESCl[Ti]Cl.[H]N=C1N(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C11H23N3.2ClH.Ti/c1-10(2,3)13-7-8-14(9(13)12)11(4,5)6;;;/h12H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyOKMJJCMHPONIQF-UHFFFAOYSA-L
MW316.10 g/mol
LogP3.51
Rot. Bonds

About 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium

1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium (PubChem CID 175061175) has the molecular formula C11H23Cl2N3Ti and a molecular weight of 316.10 g/mol. Its IUPAC name is 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium.

Molecular Properties

Compound Name1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium
PubChem CID175061175
Molecular FormulaC11H23Cl2N3Ti
Molecular Weight316.10 g/mol
Exact Mass315.07
IUPAC Name1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium
SMILESCl[Ti]Cl.[H]N=C1N(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C11H23N3.2ClH.Ti/c1-10(2,3)13-7-8-14(9(13)12)11(4,5)6;;;/h12H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyOKMJJCMHPONIQF-UHFFFAOYSA-L
XLogP3.51
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium?
The IUPAC name of 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium (CID 175061175) is 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium.
What is the SMILES notation for 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium?
The canonical SMILES for 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium is Cl[Ti]Cl.[H]N=C1N(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium?
The InChIKey is OKMJJCMHPONIQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H23N3.2ClH.Ti/c1-10(2,3)13-7-8-14(9(13)12)11(4,5)6;;;/h12H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium?
1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium has a molecular weight of 316.10 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylimidazolidin-2-imine;dichlorotitanium is sourced from PubChem (CID 175061175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).