N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride

C26H58ClNO3Si — CID 173004886

IUPACN,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CCN(C)C.Cl
InChIInChI=1S/C26H57NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(23-24-27(2)3)22-20-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H
InChIKeyQWBOJUKUVQBNIH-UHFFFAOYSA-N
MW496.29 g/mol
LogP8.12
Rot. Bonds24

About N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride

N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride (PubChem CID 173004886) has the molecular formula C26H58ClNO3Si and a molecular weight of 496.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
PubChem CID173004886
Molecular FormulaC26H58ClNO3Si
Molecular Weight496.29 g/mol
Exact Mass495.39
IUPAC NameN,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CCN(C)C.Cl
InChIInChI=1S/C26H57NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(23-24-27(2)3)22-20-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H
InChIKeyQWBOJUKUVQBNIH-UHFFFAOYSA-N
XLogP8.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.29
LogP ≤ 58.12
H-Bond Donors ≤ 50
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-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
trimethoxy-[4-(2-methylpropyl)undecyl]silane
CID 173194024
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
trimethoxy(4-methylicosyl)silane
CID 88743380
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
bis(3-pentyloctyl) 8-[2-(dimethylamino)ethyl]heptadecanedioate
CID 118403697
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride (CID 173004886) is N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCC(CCC[Si](OC)(OC)OC)CCN(C)C.Cl.
What is the InChIKey of N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The InChIKey is QWBOJUKUVQBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(23-24-27(2)3)22-20-25-31(28-4,29-5)30-6;/h26H,7-25H2,1-6H3;1H.
What are the key properties of N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride?
N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride has a molecular weight of 496.29 g/mol, XLogP of 8.12, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride is sourced from PubChem (CID 173004886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).