3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine

C6H12Cl3NOSi — CID 91370094

IUPAC3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine
SMILESCO[Si](=CC(Cl)(Cl)Cl)CCCN
InChIInChI=1S/C6H12Cl3NOSi/c1-11-12(4-2-3-10)5-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQQSVTKOMFNEXGN-UHFFFAOYSA-N
MW248.61 g/mol
LogP1.73
Rot. Bonds4

About 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine

3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine (PubChem CID 91370094) has the molecular formula C6H12Cl3NOSi and a molecular weight of 248.61 g/mol. Its IUPAC name is 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine
PubChem CID91370094
Molecular FormulaC6H12Cl3NOSi
Molecular Weight248.61 g/mol
Exact Mass246.98
IUPAC Name3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine
SMILESCO[Si](=CC(Cl)(Cl)Cl)CCCN
InChIInChI=1S/C6H12Cl3NOSi/c1-11-12(4-2-3-10)5-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQQSVTKOMFNEXGN-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87974631
CID 87974631
CID 87823121
CID 87823121
azane;3-methoxypropan-1-amine
CID 172866087
CID 87456465
CID 87456465
6-[2-(2-methoxyethoxy)ethoxy]hexan-1-amine
CID 104566819
4-chloro-4-ethylhexan-1-amine
CID 54264302
2-[(Aminomethyl)(methoxy)silyl]ethan-1-amine
CID 78060945
methane;7-methoxyheptan-1-amine
CID 160693233
3-methoxypropan-1-amine;N-methylmethanamine
CID 175098643
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
4-aminobutanoic acid;2-chloro-2-methylpropane
CID 155408574
6-[3-(2-methoxyethoxy)propoxy]hexan-1-amine
CID 103406276

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine?
The IUPAC name of 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine (CID 91370094) is 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine.
What is the SMILES notation for 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine?
The canonical SMILES for 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine is CO[Si](=CC(Cl)(Cl)Cl)CCCN.
What is the InChIKey of 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine?
The InChIKey is QQSVTKOMFNEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl3NOSi/c1-11-12(4-2-3-10)5-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine?
3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine has a molecular weight of 248.61 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(2,2,2-trichloroethylidene)silyl]propan-1-amine is sourced from PubChem (CID 91370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).