N-chloro-1-triethoxysilylpropan-1-amine

C9H22ClNO3Si — CID 175004161

IUPACN-chloro-1-triethoxysilylpropan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CC)NCl
InChIInChI=1S/C9H22ClNO3Si/c1-5-9(11-10)15(12-6-2,13-7-3)14-8-4/h9,11H,5-8H2,1-4H3
InChIKeyQPWXHLGSUHOFOP-UHFFFAOYSA-N
MW255.82 g/mol
LogP2.10
Rot. Bonds9

About N-chloro-1-triethoxysilylpropan-1-amine

N-chloro-1-triethoxysilylpropan-1-amine (PubChem CID 175004161) has the molecular formula C9H22ClNO3Si and a molecular weight of 255.82 g/mol. Its IUPAC name is N-chloro-1-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-chloro-1-triethoxysilylpropan-1-amine
PubChem CID175004161
Molecular FormulaC9H22ClNO3Si
Molecular Weight255.82 g/mol
Exact Mass255.11
IUPAC NameN-chloro-1-triethoxysilylpropan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CC)NCl
InChIInChI=1S/C9H22ClNO3Si/c1-5-9(11-10)15(12-6-2,13-7-3)14-8-4/h9,11H,5-8H2,1-4H3
InChIKeyQPWXHLGSUHOFOP-UHFFFAOYSA-N
XLogP2.10
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.82
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

N-propyl-1-triethoxysilylpropan-1-amine
CID 87094166
2-chloro-N-(1-triethoxysilylpropyl)acetamide
CID 18353899
1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
CID 87217216
acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 173156526
1-triethoxysilylpropyl thiohypochlorite
CID 175012038
1-chloropropyl(triethoxy)silane;ethanol
CID 174653765
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
CID 22359732
N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 175581846
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
silane;triethoxy(1-methoxypropyl)silane
CID 175591371

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-triethoxysilylpropan-1-amine?
The IUPAC name of N-chloro-1-triethoxysilylpropan-1-amine (CID 175004161) is N-chloro-1-triethoxysilylpropan-1-amine.
What is the SMILES notation for N-chloro-1-triethoxysilylpropan-1-amine?
The canonical SMILES for N-chloro-1-triethoxysilylpropan-1-amine is CCO[Si](OCC)(OCC)C(CC)NCl.
What is the InChIKey of N-chloro-1-triethoxysilylpropan-1-amine?
The InChIKey is QPWXHLGSUHOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22ClNO3Si/c1-5-9(11-10)15(12-6-2,13-7-3)14-8-4/h9,11H,5-8H2,1-4H3.
What are the key properties of N-chloro-1-triethoxysilylpropan-1-amine?
N-chloro-1-triethoxysilylpropan-1-amine has a molecular weight of 255.82 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-triethoxysilylpropan-1-amine is sourced from PubChem (CID 175004161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).