N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine

C13H30BrNO3Si — CID 175043415

IUPACN-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](CCCN(Br)CC(C)C)(OCC)OCC
InChIInChI=1S/C13H30BrNO3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15(14)12-13(4)5/h13H,6-12H2,1-5H3
InChIKeyQCVHUCPDMVUJNK-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.69
Rot. Bonds12

About N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine

N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine (PubChem CID 175043415) has the molecular formula C13H30BrNO3Si and a molecular weight of 356.38 g/mol. Its IUPAC name is N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine
PubChem CID175043415
Molecular FormulaC13H30BrNO3Si
Molecular Weight356.38 g/mol
Exact Mass355.12
IUPAC NameN-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine
SMILESCCO[Si](CCCN(Br)CC(C)C)(OCC)OCC
InChIInChI=1S/C13H30BrNO3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15(14)12-13(4)5/h13H,6-12H2,1-5H3
InChIKeyQCVHUCPDMVUJNK-UHFFFAOYSA-N
XLogP3.69
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503
N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 156771884
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
5-triethoxysilylpentane-2-thiol
CID 19834372
N-propyl-3-triethoxysilyl-N-trimethylsilylpropan-1-amine
CID 90265370
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
18-bromooctadecyl(triethoxy)silane
CID 87686820
N,N-bis(methylsulfanyl)-3-triethoxysilylpropan-1-amine;(methyltetrasulfanyl)methane
CID 159916460

Frequently Asked Questions

What is the IUPAC name of N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine?
The IUPAC name of N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine (CID 175043415) is N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine?
The canonical SMILES for N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine is CCO[Si](CCCN(Br)CC(C)C)(OCC)OCC.
What is the InChIKey of N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine?
The InChIKey is QCVHUCPDMVUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30BrNO3Si/c1-6-16-19(17-7-2,18-8-3)11-9-10-15(14)12-13(4)5/h13H,6-12H2,1-5H3.
What are the key properties of N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine?
N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine has a molecular weight of 356.38 g/mol, XLogP of 3.69, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-methyl-N-(3-triethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 175043415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).