5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine

C9H21Cl2NSi — CID 90829279

IUPAC5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)C[Si](C)(Cl)Cl
InChIInChI=1S/C9H21Cl2NSi/c1-8(2,6-9(3,4)12)7-13(5,10)11/h6-7,12H2,1-5H3
InChIKeyUOFIHCSVEFZOGS-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.69
Rot. Bonds4

About 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine

5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 90829279) has the molecular formula C9H21Cl2NSi and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine
PubChem CID90829279
Molecular FormulaC9H21Cl2NSi
Molecular Weight242.27 g/mol
Exact Mass241.08
IUPAC Name5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)C[Si](C)(Cl)Cl
InChIInChI=1S/C9H21Cl2NSi/c1-8(2,6-9(3,4)12)7-13(5,10)11/h6-7,12H2,1-5H3
InChIKeyUOFIHCSVEFZOGS-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine (CID 90829279) is 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine is CC(C)(N)CC(C)(C)C[Si](C)(Cl)Cl.
What is the InChIKey of 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is UOFIHCSVEFZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21Cl2NSi/c1-8(2,6-9(3,4)12)7-13(5,10)11/h6-7,12H2,1-5H3.
What are the key properties of 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine?
5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 242.27 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dichloro(methyl)silyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 90829279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).