8-trimethoxysilylhenicosan-11-amine;hydrochloride

C24H54ClNO3Si — CID 173245957

IUPAC8-trimethoxysilylhenicosan-11-amine;hydrochloride
SMILESCCCCCCCCCCC(N)CCC(CCCCCCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-10-12-13-14-16-17-19-23(25)21-22-24(20-18-15-11-9-7-2)29(26-3,27-4)28-5;/h23-24H,6-22,25H2,1-5H3;1H
InChIKeyFMFIHNZINURNBO-UHFFFAOYSA-N
MW468.24 g/mol
LogP7.66
Rot. Bonds22

About 8-trimethoxysilylhenicosan-11-amine;hydrochloride

8-trimethoxysilylhenicosan-11-amine;hydrochloride (PubChem CID 173245957) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is 8-trimethoxysilylhenicosan-11-amine;hydrochloride.

Molecular Properties

Compound Name8-trimethoxysilylhenicosan-11-amine;hydrochloride
PubChem CID173245957
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC Name8-trimethoxysilylhenicosan-11-amine;hydrochloride
SMILESCCCCCCCCCCC(N)CCC(CCCCCCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-10-12-13-14-16-17-19-23(25)21-22-24(20-18-15-11-9-7-2)29(26-3,27-4)28-5;/h23-24H,6-22,25H2,1-5H3;1H
InChIKeyFMFIHNZINURNBO-UHFFFAOYSA-N
XLogP7.66
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 ≤ 57.66
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

3-trimethoxysilyltetradecan-1-amine
CID 22997270
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
1-trimethoxysilyloctan-1-amine
CID 87463125
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
decan-4-amine;hydrochloride
CID 87728109
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
1-[dimethoxy(methyl)silyl]decan-3-amine
CID 150788422
(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
CID 162505004

Frequently Asked Questions

What is the IUPAC name of 8-trimethoxysilylhenicosan-11-amine;hydrochloride?
The IUPAC name of 8-trimethoxysilylhenicosan-11-amine;hydrochloride (CID 173245957) is 8-trimethoxysilylhenicosan-11-amine;hydrochloride.
What is the SMILES notation for 8-trimethoxysilylhenicosan-11-amine;hydrochloride?
The canonical SMILES for 8-trimethoxysilylhenicosan-11-amine;hydrochloride is CCCCCCCCCCC(N)CCC(CCCCCCC)[Si](OC)(OC)OC.Cl.
What is the InChIKey of 8-trimethoxysilylhenicosan-11-amine;hydrochloride?
The InChIKey is FMFIHNZINURNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO3Si.ClH/c1-6-8-10-12-13-14-16-17-19-23(25)21-22-24(20-18-15-11-9-7-2)29(26-3,27-4)28-5;/h23-24H,6-22,25H2,1-5H3;1H.
What are the key properties of 8-trimethoxysilylhenicosan-11-amine;hydrochloride?
8-trimethoxysilylhenicosan-11-amine;hydrochloride has a molecular weight of 468.24 g/mol, XLogP of 7.66, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trimethoxysilylhenicosan-11-amine;hydrochloride is sourced from PubChem (CID 173245957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).