2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine

C28H61NO3Si — CID 87229361

IUPAC2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)(C)N
InChIInChI=1S/C28H61NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(26-28(2,3)29)24-22-25-33(30-4,31-5)32-6/h27H,7-26,29H2,1-6H3
InChIKeyLZTZHPNDOATKQZ-UHFFFAOYSA-N
MW487.89 g/mol
LogP8.65
Rot. Bonds25

About 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine

2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine (PubChem CID 87229361) has the molecular formula C28H61NO3Si and a molecular weight of 487.89 g/mol. Its IUPAC name is 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
PubChem CID87229361
Molecular FormulaC28H61NO3Si
Molecular Weight487.89 g/mol
Exact Mass487.44
IUPAC Name2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)(C)N
InChIInChI=1S/C28H61NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(26-28(2,3)29)24-22-25-33(30-4,31-5)32-6/h27H,7-26,29H2,1-6H3
InChIKeyLZTZHPNDOATKQZ-UHFFFAOYSA-N
XLogP8.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.89
LogP ≤ 58.65
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

2-methyl-4-(3-trimethoxysilylpropyl)nonan-2-amine
CID 87201991
2-methyl-4-(3-trihydroxysilylpropyl)nonadecan-2-amine;hydrochloride
CID 173019008
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
trimethoxy-[4-(2-methylpropyl)undecyl]silane
CID 173194024
trimethoxy(4-methylicosyl)silane
CID 88743380
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173004886
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine?
The IUPAC name of 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine (CID 87229361) is 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine.
What is the SMILES notation for 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine?
The canonical SMILES for 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine is CCCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)(C)N.
What is the InChIKey of 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine?
The InChIKey is LZTZHPNDOATKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H61NO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(26-28(2,3)29)24-22-25-33(30-4,31-5)32-6/h27H,7-26,29H2,1-6H3.
What are the key properties of 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine?
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine has a molecular weight of 487.89 g/mol, XLogP of 8.65, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine is sourced from PubChem (CID 87229361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).