N-bromosilyl-N-methylpropan-2-amine

C4H12BrNSi — CID 140711237

IUPACN-bromosilyl-N-methylpropan-2-amine
SMILESCC(C)N(C)[SiH2]Br
InChIInChI=1S/C4H12BrNSi/c1-4(2)6(3)7-5/h4H,7H2,1-3H3
InChIKeyNKFUNNQLNXWSKJ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.72
Rot. Bonds2

About N-bromosilyl-N-methylpropan-2-amine

N-bromosilyl-N-methylpropan-2-amine (PubChem CID 140711237) has the molecular formula C4H12BrNSi and a molecular weight of 182.14 g/mol. Its IUPAC name is N-bromosilyl-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-bromosilyl-N-methylpropan-2-amine
PubChem CID140711237
Molecular FormulaC4H12BrNSi
Molecular Weight182.14 g/mol
Exact Mass180.99
IUPAC NameN-bromosilyl-N-methylpropan-2-amine
SMILESCC(C)N(C)[SiH2]Br
InChIInChI=1S/C4H12BrNSi/c1-4(2)6(3)7-5/h4H,7H2,1-3H3
InChIKeyNKFUNNQLNXWSKJ-UHFFFAOYSA-N
XLogP0.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-bromosilyl-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-bromosilyl-N-methylpropan-2-amine?
The IUPAC name of N-bromosilyl-N-methylpropan-2-amine (CID 140711237) is N-bromosilyl-N-methylpropan-2-amine.
What is the SMILES notation for N-bromosilyl-N-methylpropan-2-amine?
The canonical SMILES for N-bromosilyl-N-methylpropan-2-amine is CC(C)N(C)[SiH2]Br.
What is the InChIKey of N-bromosilyl-N-methylpropan-2-amine?
The InChIKey is NKFUNNQLNXWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12BrNSi/c1-4(2)6(3)7-5/h4H,7H2,1-3H3.
What are the key properties of N-bromosilyl-N-methylpropan-2-amine?
N-bromosilyl-N-methylpropan-2-amine has a molecular weight of 182.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromosilyl-N-methylpropan-2-amine is sourced from PubChem (CID 140711237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).