N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine

C11H18BCl2NSi — CID 100995344

IUPACN-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine
SMILESCC(C)N(B(Cl)Cl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C11H18BCl2NSi/c1-10(2)15(12(13)14)16(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyHOVOBRAXVZPRLO-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.27
Rot. Bonds4

About N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine

N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine (PubChem CID 100995344) has the molecular formula C11H18BCl2NSi and a molecular weight of 274.08 g/mol. Its IUPAC name is N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine.

Molecular Properties

Compound NameN-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine
PubChem CID100995344
Molecular FormulaC11H18BCl2NSi
Molecular Weight274.08 g/mol
Exact Mass273.07
IUPAC NameN-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine
SMILESCC(C)N(B(Cl)Cl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C11H18BCl2NSi/c1-10(2)15(12(13)14)16(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyHOVOBRAXVZPRLO-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine?
The IUPAC name of N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine (CID 100995344) is N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine.
What is the SMILES notation for N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine?
The canonical SMILES for N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine is CC(C)N(B(Cl)Cl)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine?
The InChIKey is HOVOBRAXVZPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BCl2NSi/c1-10(2)15(12(13)14)16(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine?
N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine has a molecular weight of 274.08 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine is sourced from PubChem (CID 100995344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).