2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride

C28H62ClNO3Si — CID 173031291

IUPAC2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCC(CN)CCC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C28H61NO3Si.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(27-29)25-23-26-33(30-2,31-3)32-4;/h28H,5-27,29H2,1-4H3;1H
InChIKeyBZFXONHYYYPTJW-UHFFFAOYSA-N
MW524.35 g/mol
LogP9.07
Rot. Bonds27

About 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride

2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride (PubChem CID 173031291) has the molecular formula C28H62ClNO3Si and a molecular weight of 524.35 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
PubChem CID173031291
Molecular FormulaC28H62ClNO3Si
Molecular Weight524.35 g/mol
Exact Mass523.42
IUPAC Name2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCC(CN)CCC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C28H61NO3Si.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(27-29)25-23-26-33(30-2,31-3)32-4;/h28H,5-27,29H2,1-4H3;1H
InChIKeyBZFXONHYYYPTJW-UHFFFAOYSA-N
XLogP9.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.35
LogP ≤ 59.07
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'}

Analyze 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
trimethoxy-[4-(2-methylpropyl)undecyl]silane
CID 173194024
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173004886
trimethoxy(4-methylicosyl)silane
CID 88743380
2-methyl-4-(3-trimethoxysilylpropyl)nonan-2-amine
CID 87201991
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
2-propylheptan-1-amine
CID 21267775
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride?
The IUPAC name of 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride (CID 173031291) is 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride?
The canonical SMILES for 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCCCC(CN)CCC[Si](OC)(OC)OC.Cl.
What is the InChIKey of 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride?
The InChIKey is BZFXONHYYYPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H61NO3Si.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(27-29)25-23-26-33(30-2,31-3)32-4;/h28H,5-27,29H2,1-4H3;1H.
What are the key properties of 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride?
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride has a molecular weight of 524.35 g/mol, XLogP of 9.07, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride is sourced from PubChem (CID 173031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).