18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride

C26H58ClNO3Si — CID 175425921

IUPAC18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
SMILESCO[Si](CCCNCCCCCCCCCCCCCCCCCC(C)C)(OC)OC.Cl
InChIInChI=1S/C26H57NO3Si.ClH/c1-26(2)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-27-24-21-25-31(28-3,29-4)30-5;/h26-27H,6-25H2,1-5H3;1H
InChIKeyDWRYHRKWLKSKQJ-UHFFFAOYSA-N
MW496.29 g/mol
LogP8.16
Rot. Bonds25

About 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride

18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride (PubChem CID 175425921) has the molecular formula C26H58ClNO3Si and a molecular weight of 496.29 g/mol. Its IUPAC name is 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride.

Molecular Properties

Compound Name18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
PubChem CID175425921
Molecular FormulaC26H58ClNO3Si
Molecular Weight496.29 g/mol
Exact Mass495.39
IUPAC Name18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
SMILESCO[Si](CCCNCCCCCCCCCCCCCCCCCC(C)C)(OC)OC.Cl
InChIInChI=1S/C26H57NO3Si.ClH/c1-26(2)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-27-24-21-25-31(28-3,29-4)30-5;/h26-27H,6-25H2,1-5H3;1H
InChIKeyDWRYHRKWLKSKQJ-UHFFFAOYSA-N
XLogP8.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.29
LogP ≤ 58.16
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

11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
CID 172810414
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347

Frequently Asked Questions

What is the IUPAC name of 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride?
The IUPAC name of 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride (CID 175425921) is 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride.
What is the SMILES notation for 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride?
The canonical SMILES for 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride is CO[Si](CCCNCCCCCCCCCCCCCCCCCC(C)C)(OC)OC.Cl.
What is the InChIKey of 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride?
The InChIKey is DWRYHRKWLKSKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57NO3Si.ClH/c1-26(2)22-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-27-24-21-25-31(28-3,29-4)30-5;/h26-27H,6-25H2,1-5H3;1H.
What are the key properties of 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride?
18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride has a molecular weight of 496.29 g/mol, XLogP of 8.16, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride is sourced from PubChem (CID 175425921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).