N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride

C20H46ClNO3Si — CID 173083767

IUPACN,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
SMILESCCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C20H45NO3Si.ClH/c1-8-10-11-12-13-14-15-17-20(25(22-5,23-6)24-7)18-19(16-9-2)21(3)4;/h19-20H,8-18H2,1-7H3;1H
InChIKeyHVMRTOBZQATMEY-UHFFFAOYSA-N
MW412.13 g/mol
LogP5.92
Rot. Bonds17

About N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride

N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride (PubChem CID 173083767) has the molecular formula C20H46ClNO3Si and a molecular weight of 412.13 g/mol. Its IUPAC name is N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
PubChem CID173083767
Molecular FormulaC20H46ClNO3Si
Molecular Weight412.13 g/mol
Exact Mass411.29
IUPAC NameN,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
SMILESCCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C20H45NO3Si.ClH/c1-8-10-11-12-13-14-15-17-20(25(22-5,23-6)24-7)18-19(16-9-2)21(3)4;/h19-20H,8-18H2,1-7H3;1H
InChIKeyHVMRTOBZQATMEY-UHFFFAOYSA-N
XLogP5.92
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.13
LogP ≤ 55.92
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-trimethoxysilylhenicosan-4-amine
CID 19829018
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
CID 19829019
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
3-trimethoxysilyltetradecan-1-amine
CID 22997270
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
N,N,11-trimethylpentacosan-13-amine;hydrochloride
CID 173231447
(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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride (CID 173083767) is N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride is CCCCCCCCCC(CC(CCC)N(C)C)[Si](OC)(OC)OC.Cl.
What is the InChIKey of N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride?
The InChIKey is HVMRTOBZQATMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO3Si.ClH/c1-8-10-11-12-13-14-15-17-20(25(22-5,23-6)24-7)18-19(16-9-2)21(3)4;/h19-20H,8-18H2,1-7H3;1H.
What are the key properties of N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride?
N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride has a molecular weight of 412.13 g/mol, XLogP of 5.92, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride is sourced from PubChem (CID 173083767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).