4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine

C29H63NO3Si — CID 87394069

IUPAC4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
SMILESCCCCCCCCCCCCCCC(C[Si](OCC)(OCC)OCC)C(N)(CCC)CCC
InChIInChI=1S/C29H63NO3Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-28(29(30,25-8-2)26-9-3)27-34(31-10-4,32-11-5)33-12-6/h28H,7-27,30H2,1-6H3
InChIKeyGBQVCQFXPZTGTG-UHFFFAOYSA-N
MW501.91 g/mol
LogP9.04
Rot. Bonds26

About 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine

4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine (PubChem CID 87394069) has the molecular formula C29H63NO3Si and a molecular weight of 501.91 g/mol. Its IUPAC name is 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine.

Molecular Properties

Compound Name4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
PubChem CID87394069
Molecular FormulaC29H63NO3Si
Molecular Weight501.91 g/mol
Exact Mass501.46
IUPAC Name4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
SMILESCCCCCCCCCCCCCCC(C[Si](OCC)(OCC)OCC)C(N)(CCC)CCC
InChIInChI=1S/C29H63NO3Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-28(29(30,25-8-2)26-9-3)27-34(31-10-4,32-11-5)33-12-6/h28H,7-27,30H2,1-6H3
InChIKeyGBQVCQFXPZTGTG-UHFFFAOYSA-N
XLogP9.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
1-triethoxysilylheptan-2-amine
CID 90410833
triethoxy(2-heptylundecyl)silane
CID 139707869
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine
CID 87777524
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
5-butyl-6-propylheptadecan-5-amine
CID 22597070
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305

Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine?
The IUPAC name of 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine (CID 87394069) is 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine.
What is the SMILES notation for 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine?
The canonical SMILES for 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine is CCCCCCCCCCCCCCC(C[Si](OCC)(OCC)OCC)C(N)(CCC)CCC.
What is the InChIKey of 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine?
The InChIKey is GBQVCQFXPZTGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63NO3Si/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-28(29(30,25-8-2)26-9-3)27-34(31-10-4,32-11-5)33-12-6/h28H,7-27,30H2,1-6H3.
What are the key properties of 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine?
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine has a molecular weight of 501.91 g/mol, XLogP of 9.04, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine is sourced from PubChem (CID 87394069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).