4-trimethoxysilylhenicosan-4-amine;hydrochloride

C24H54ClNO3Si — CID 174053760

IUPAC4-trimethoxysilylhenicosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,22-7-2)29(26-3,27-4)28-5;/h6-23,25H2,1-5H3;1H
InChIKeyZIZSVPZRCRUORQ-UHFFFAOYSA-N
MW468.24 g/mol
LogP7.58
Rot. Bonds22

About 4-trimethoxysilylhenicosan-4-amine;hydrochloride

4-trimethoxysilylhenicosan-4-amine;hydrochloride (PubChem CID 174053760) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is 4-trimethoxysilylhenicosan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-trimethoxysilylhenicosan-4-amine;hydrochloride
PubChem CID174053760
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC Name4-trimethoxysilylhenicosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,22-7-2)29(26-3,27-4)28-5;/h6-23,25H2,1-5H3;1H
InChIKeyZIZSVPZRCRUORQ-UHFFFAOYSA-N
XLogP7.58
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.24
LogP ≤ 57.58
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

trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
4-trimethoxysilylhexane-1,4-diamine
CID 57134999
tetracosane-4,4-diamine
CID 141059661
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005
tetracosane-6,6-diamine
CID 154005419
4-triethoxysilylheptane-1,4-diamine
CID 91551145
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride
CID 173229725

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylhenicosan-4-amine;hydrochloride?
The IUPAC name of 4-trimethoxysilylhenicosan-4-amine;hydrochloride (CID 174053760) is 4-trimethoxysilylhenicosan-4-amine;hydrochloride.
What is the SMILES notation for 4-trimethoxysilylhenicosan-4-amine;hydrochloride?
The canonical SMILES for 4-trimethoxysilylhenicosan-4-amine;hydrochloride is CCCCCCCCCCCCCCCCCC(N)(CCC)[Si](OC)(OC)OC.Cl.
What is the InChIKey of 4-trimethoxysilylhenicosan-4-amine;hydrochloride?
The InChIKey is ZIZSVPZRCRUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25,22-7-2)29(26-3,27-4)28-5;/h6-23,25H2,1-5H3;1H.
What are the key properties of 4-trimethoxysilylhenicosan-4-amine;hydrochloride?
4-trimethoxysilylhenicosan-4-amine;hydrochloride has a molecular weight of 468.24 g/mol, XLogP of 7.58, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylhenicosan-4-amine;hydrochloride is sourced from PubChem (CID 174053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).