3-[dichloro(methyl)silyl]propan-1-amine

C4H11Cl2NSi — CID 55255907

IUPAC3-[dichloro(methyl)silyl]propan-1-amine
SMILESC[Si](Cl)(Cl)CCCN
InChIInChI=1S/C4H11Cl2NSi/c1-8(5,6)4-2-3-7/h2-4,7H2,1H3
InChIKeyXKUCNBHFKJTDCM-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.88
Rot. Bonds3

About 3-[dichloro(methyl)silyl]propan-1-amine

3-[dichloro(methyl)silyl]propan-1-amine (PubChem CID 55255907) has the molecular formula C4H11Cl2NSi and a molecular weight of 172.13 g/mol. Its IUPAC name is 3-[dichloro(methyl)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[dichloro(methyl)silyl]propan-1-amine
PubChem CID55255907
Molecular FormulaC4H11Cl2NSi
Molecular Weight172.13 g/mol
Exact Mass171.00
IUPAC Name3-[dichloro(methyl)silyl]propan-1-amine
SMILESC[Si](Cl)(Cl)CCCN
InChIInChI=1S/C4H11Cl2NSi/c1-8(5,6)4-2-3-7/h2-4,7H2,1H3
InChIKeyXKUCNBHFKJTDCM-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.88
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 3-[dichloro(methyl)silyl]propan-1-amine?
The IUPAC name of 3-[dichloro(methyl)silyl]propan-1-amine (CID 55255907) is 3-[dichloro(methyl)silyl]propan-1-amine.
What is the SMILES notation for 3-[dichloro(methyl)silyl]propan-1-amine?
The canonical SMILES for 3-[dichloro(methyl)silyl]propan-1-amine is C[Si](Cl)(Cl)CCCN.
What is the InChIKey of 3-[dichloro(methyl)silyl]propan-1-amine?
The InChIKey is XKUCNBHFKJTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11Cl2NSi/c1-8(5,6)4-2-3-7/h2-4,7H2,1H3.
What are the key properties of 3-[dichloro(methyl)silyl]propan-1-amine?
3-[dichloro(methyl)silyl]propan-1-amine has a molecular weight of 172.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro(methyl)silyl]propan-1-amine is sourced from PubChem (CID 55255907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).