N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride

C25H56ClNO3Si — CID 173427535

IUPACN,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(CCCCCC[Si](OC)(OC)OC)N(C)C.Cl
InChIInChI=1S/C25H55NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-19-22-25(26(2)3)23-20-17-18-21-24-30(27-4,28-5)29-6;/h25H,7-24H2,1-6H3;1H
InChIKeyZLPPPFORJRIIEY-UHFFFAOYSA-N
MW482.27 g/mol
LogP7.87
Rot. Bonds23

About N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride

N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride (PubChem CID 173427535) has the molecular formula C25H56ClNO3Si and a molecular weight of 482.27 g/mol. Its IUPAC name is N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
PubChem CID173427535
Molecular FormulaC25H56ClNO3Si
Molecular Weight482.27 g/mol
Exact Mass481.37
IUPAC NameN,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(CCCCCC[Si](OC)(OC)OC)N(C)C.Cl
InChIInChI=1S/C25H55NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-19-22-25(26(2)3)23-20-17-18-21-24-30(27-4,28-5)29-6;/h25H,7-24H2,1-6H3;1H
InChIKeyZLPPPFORJRIIEY-UHFFFAOYSA-N
XLogP7.87
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.27
LogP ≤ 57.87
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

(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
dodecyl(trimethoxy)silane;octane
CID 174570785
hexacosyl(trimethoxy)silane
CID 150262252
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride (CID 173427535) is N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride is CCCCCCCCCCCCCC(CCCCCC[Si](OC)(OC)OC)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride?
The InChIKey is ZLPPPFORJRIIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H55NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-19-22-25(26(2)3)23-20-17-18-21-24-30(27-4,28-5)29-6;/h25H,7-24H2,1-6H3;1H.
What are the key properties of N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride?
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride has a molecular weight of 482.27 g/mol, XLogP of 7.87, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride is sourced from PubChem (CID 173427535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).