N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine

C8H19BBrNSi — CID 139833201

IUPACN-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine
SMILESC=C(C[Si](C)(C)C)B(Br)N(C)C
InChIInChI=1S/C8H19BBrNSi/c1-8(7-12(4,5)6)9(10)11(2)3/h1,7H2,2-6H3
InChIKeyZYDXGYQLTZUXES-UHFFFAOYSA-N
MW248.05 g/mol
LogP2.86
Rot. Bonds4

About N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine

N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine (PubChem CID 139833201) has the molecular formula C8H19BBrNSi and a molecular weight of 248.05 g/mol. Its IUPAC name is N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine
PubChem CID139833201
Molecular FormulaC8H19BBrNSi
Molecular Weight248.05 g/mol
Exact Mass247.06
IUPAC NameN-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine
SMILESC=C(C[Si](C)(C)C)B(Br)N(C)C
InChIInChI=1S/C8H19BBrNSi/c1-8(7-12(4,5)6)9(10)11(2)3/h1,7H2,2-6H3
InChIKeyZYDXGYQLTZUXES-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropyl-3-(trimethylsilylmethyl)but-3-en-1-amine
CID 642577
trichloro-[2-(trimethylsilylmethyl)prop-2-enyl]silane
CID 134961529
2-[dimethyl(2-methylprop-2-enyl)silyl]-N,N-dimethylethanamine
CID 87398390
ethyl-ethylidene-[3-(trimethylsilylmethyl)but-3-enyl]azanium
CID 10689964
2-ethoxyprop-2-enyl(trimethyl)silane
CID 13185405
4,4-dimethyl-5-(trimethylsilylmethyl)hex-5-en-2-one
CID 13029035
2-[dimethyl(prop-1-en-2-yl)silyl]-N,N-dimethylethanamine
CID 87398236
N-[1-[dimethylamino(dimethyl)silyl]ethenyl-dimethylsilyl]-N-methylmethanamine
CID 18752990
trimethyl-(8-methyl-2-methylidenenon-8-enyl)silane
CID 84820166
1,1-dibromo-3-trimethylsilylpropan-2-one
CID 12501089
1-[(3R,4S)-3-methyl-4-(3-trimethylsilylprop-1-en-2-yl)-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one
CID 10586873
(5-iodo-3-methyl-2-methylidenepentyl)-trimethylsilane
CID 72806140

Frequently Asked Questions

What is the IUPAC name of N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine?
The IUPAC name of N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine (CID 139833201) is N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine.
What is the SMILES notation for N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine?
The canonical SMILES for N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine is C=C(C[Si](C)(C)C)B(Br)N(C)C.
What is the InChIKey of N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine?
The InChIKey is ZYDXGYQLTZUXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BBrNSi/c1-8(7-12(4,5)6)9(10)11(2)3/h1,7H2,2-6H3.
What are the key properties of N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine?
N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine has a molecular weight of 248.05 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromo(3-trimethylsilylprop-1-en-2-yl)boranyl]-N-methylmethanamine is sourced from PubChem (CID 139833201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).