4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride

C26H57ClNOSi- — CID 53482219

IUPAC4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride
SMILESCCCCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](C)(C)OC.[Cl-]
InChIInChI=1S/C26H57NOSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25(29(6,7)28-5)24(22-9-2)26(3,4)27;/h24-25H,8-23,27H2,1-7H3;1H/p-1
InChIKeyHQWIIXCMGPTVAZ-UHFFFAOYSA-M
MW463.29 g/mol
LogP5.85
Rot. Bonds20

About 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride

4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride (PubChem CID 53482219) has the molecular formula C26H57ClNOSi- and a molecular weight of 463.29 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride
PubChem CID53482219
Molecular FormulaC26H57ClNOSi-
Molecular Weight463.29 g/mol
Exact Mass462.39
IUPAC Name4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride
SMILESCCCCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](C)(C)OC.[Cl-]
InChIInChI=1S/C26H57NOSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25(29(6,7)28-5)24(22-9-2)26(3,4)27;/h24-25H,8-23,27H2,1-7H3;1H/p-1
InChIKeyHQWIIXCMGPTVAZ-UHFFFAOYSA-M
XLogP5.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
CID 53482216
2-methyl-3-(1-trimethoxysilylpropyl)heptadecan-2-amine
CID 87122398
3-hexyl-2-methylundecan-2-amine
CID 89005835
3-ethyl-2-methylnonan-2-amine
CID 175488413
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
9-tert-butylhenicosane
CID 150708915
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
2,3-dimethylhexadecan-2-amine
CID 87479269

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride?
The IUPAC name of 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride (CID 53482219) is 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride is CCCCCCCCCCCCCCCC(C(CCC)C(C)(C)N)[Si](C)(C)OC.[Cl-].
What is the InChIKey of 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride?
The InChIKey is HQWIIXCMGPTVAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H57NOSi.ClH/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25(29(6,7)28-5)24(22-9-2)26(3,4)27;/h24-25H,8-23,27H2,1-7H3;1H/p-1.
What are the key properties of 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride?
4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride has a molecular weight of 463.29 g/mol, XLogP of 5.85, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]-2-methyl-3-propylnonadecan-2-amine chloride is sourced from PubChem (CID 53482219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).