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

C10H20Cl2NSiTi- — CID 87074130

IUPACN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride
SMILESCC(C)N[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
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;;;
InChIKeyNZLYNKBHFJAOFI-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.26
Rot. Bonds3

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

N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride (PubChem CID 87074130) has the molecular formula C10H20Cl2NSiTi- and a molecular weight of 301.14 g/mol. Its IUPAC name is N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride.

Molecular Properties

Compound NameN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride
PubChem CID87074130
Molecular FormulaC10H20Cl2NSiTi-
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC NameN-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride
SMILESCC(C)N[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
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;;;
InChIKeyNZLYNKBHFJAOFI-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.26
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;dihydrochloride?
The IUPAC name of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride (CID 87074130) is N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride.
What is the SMILES notation for N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride?
The canonical SMILES for N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride is CC(C)N[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti].
What is the InChIKey of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride?
The InChIKey is NZLYNKBHFJAOFI-UHFFFAOYSA-N. 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;;;.
What are the key properties of N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride?
N-[cyclopenta-1,4-dien-1-yl(dimethyl)silyl]propan-2-amine;titanium;dihydrochloride has a molecular weight of 301.14 g/mol, XLogP of 3.26, 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;dihydrochloride is sourced from PubChem (CID 87074130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).