N-[3-[methyl(propoxy)silyl]propyl]aniline

C13H23NOSi — CID 151657909

IUPACN-[3-[methyl(propoxy)silyl]propyl]aniline
SMILESCCCO[SiH](C)CCCNc1ccccc1
InChIInChI=1S/C13H23NOSi/c1-3-11-15-16(2)12-7-10-14-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyQVXBWJRDDLFOTR-UHFFFAOYSA-N
MW237.42 g/mol
LogP3.27
Rot. Bonds8

About N-[3-[methyl(propoxy)silyl]propyl]aniline

N-[3-[methyl(propoxy)silyl]propyl]aniline (PubChem CID 151657909) has the molecular formula C13H23NOSi and a molecular weight of 237.42 g/mol. Its IUPAC name is N-[3-[methyl(propoxy)silyl]propyl]aniline.

Molecular Properties

Compound NameN-[3-[methyl(propoxy)silyl]propyl]aniline
PubChem CID151657909
Molecular FormulaC13H23NOSi
Molecular Weight237.42 g/mol
Exact Mass237.15
IUPAC NameN-[3-[methyl(propoxy)silyl]propyl]aniline
SMILESCCCO[SiH](C)CCCNc1ccccc1
InChIInChI=1S/C13H23NOSi/c1-3-11-15-16(2)12-7-10-14-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyQVXBWJRDDLFOTR-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propoxy)silyl]propyl]aniline?
The IUPAC name of N-[3-[methyl(propoxy)silyl]propyl]aniline (CID 151657909) is N-[3-[methyl(propoxy)silyl]propyl]aniline.
What is the SMILES notation for N-[3-[methyl(propoxy)silyl]propyl]aniline?
The canonical SMILES for N-[3-[methyl(propoxy)silyl]propyl]aniline is CCCO[SiH](C)CCCNc1ccccc1.
What is the InChIKey of N-[3-[methyl(propoxy)silyl]propyl]aniline?
The InChIKey is QVXBWJRDDLFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOSi/c1-3-11-15-16(2)12-7-10-14-13-8-5-4-6-9-13/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3.
What are the key properties of N-[3-[methyl(propoxy)silyl]propyl]aniline?
N-[3-[methyl(propoxy)silyl]propyl]aniline has a molecular weight of 237.42 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propoxy)silyl]propyl]aniline is sourced from PubChem (CID 151657909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).