3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride

C21H48ClNO3Si — CID 173162005

IUPAC3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(C)(N)CC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C21H47NO3Si.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-26(23-3,24-4)25-5;/h6-20,22H2,1-5H3;1H
InChIKeyBWLYJRFYZNPTED-UHFFFAOYSA-N
MW426.16 g/mol
LogP6.49
Rot. Bonds19

About 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride

3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride (PubChem CID 173162005) has the molecular formula C21H48ClNO3Si and a molecular weight of 426.16 g/mol. Its IUPAC name is 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
PubChem CID173162005
Molecular FormulaC21H48ClNO3Si
Molecular Weight426.16 g/mol
Exact Mass425.31
IUPAC Name3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCC(C)(N)CC[Si](OC)(OC)OC.Cl
InChIInChI=1S/C21H47NO3Si.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-26(23-3,24-4)25-5;/h6-20,22H2,1-5H3;1H
InChIKeyBWLYJRFYZNPTED-UHFFFAOYSA-N
XLogP6.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.16
LogP ≤ 56.49
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

1-methoxy-3-methyldodecan-3-amine
CID 62620545
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
3-methyloctadecan-3-amine
CID 54058172
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;octane
CID 174570785
azanium 3-chloro-2,2-dimethyl-1-trimethoxysilylhenicosan-3-amine
CID 18459420
2-methyloctane-1,2-diamine
CID 43519506
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
2-methylpentacosan-2-amine;hydrochloride
CID 173079320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride?
The IUPAC name of 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride (CID 173162005) is 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride is CCCCCCCCCCCCCCC(C)(N)CC[Si](OC)(OC)OC.Cl.
What is the InChIKey of 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride?
The InChIKey is BWLYJRFYZNPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO3Si.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,22)19-20-26(23-3,24-4)25-5;/h6-20,22H2,1-5H3;1H.
What are the key properties of 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride?
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride has a molecular weight of 426.16 g/mol, XLogP of 6.49, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride is sourced from PubChem (CID 173162005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).