N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride

C10H18Cl2NSiTi — CID 87995931

IUPACN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride
SMILESCC(C)N[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H18NSi.2ClH.Ti/c1-9(2)11-12(3,4)10-7-5-6-8-10;;;/h5,7,9,11H,6H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyGSZSXPPGIWHVAX-UHFFFAOYSA-L
MW299.12 g/mol
LogP-3.58
Rot. Bonds3

About N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride

N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride (PubChem CID 87995931) has the molecular formula C10H18Cl2NSiTi and a molecular weight of 299.12 g/mol. Its IUPAC name is N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride.

Molecular Properties

Compound NameN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride
PubChem CID87995931
Molecular FormulaC10H18Cl2NSiTi
Molecular Weight299.12 g/mol
Exact Mass298.01
IUPAC NameN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride
SMILESCC(C)N[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H18NSi.2ClH.Ti/c1-9(2)11-12(3,4)10-7-5-6-8-10;;;/h5,7,9,11H,6H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyGSZSXPPGIWHVAX-UHFFFAOYSA-L
XLogP-3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride?
The IUPAC name of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride (CID 87995931) is N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride.
What is the SMILES notation for N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride?
The canonical SMILES for N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride is CC(C)N[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride?
The InChIKey is GSZSXPPGIWHVAX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18NSi.2ClH.Ti/c1-9(2)11-12(3,4)10-7-5-6-8-10;;;/h5,7,9,11H,6H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride?
N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride has a molecular weight of 299.12 g/mol, XLogP of -3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium(3+);dichloride is sourced from PubChem (CID 87995931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).