N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine

C26H57NO3Si — CID 19829018

IUPACN,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
SMILESCCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C26H57NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4/h25-26H,8-24H2,1-7H3
InChIKeyQSHWEUVUOSWXGM-UHFFFAOYSA-N
MW459.83 g/mol
LogP7.84
Rot. Bonds23

About N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine

N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine (PubChem CID 19829018) has the molecular formula C26H57NO3Si and a molecular weight of 459.83 g/mol. Its IUPAC name is N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
PubChem CID19829018
Molecular FormulaC26H57NO3Si
Molecular Weight459.83 g/mol
Exact Mass459.41
IUPAC NameN,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
SMILESCCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C26H57NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4/h25-26H,8-24H2,1-7H3
InChIKeyQSHWEUVUOSWXGM-UHFFFAOYSA-N
XLogP7.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.83
LogP ≤ 57.84
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

N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
CID 173083767
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
CID 19829019
3-trimethoxysilyltetradecan-1-amine
CID 22997270
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
CID 162505004
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-5-amine
CID 19862397

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine?
The IUPAC name of N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine (CID 19829018) is N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine.
What is the SMILES notation for N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine?
The canonical SMILES for N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine is CCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC.
What is the InChIKey of N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine?
The InChIKey is QSHWEUVUOSWXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-26(31(28-5,29-6)30-7)24-25(22-9-2)27(3)4/h25-26H,8-24H2,1-7H3.
What are the key properties of N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine?
N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine has a molecular weight of 459.83 g/mol, XLogP of 7.84, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine is sourced from PubChem (CID 19829018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).