N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine

C22H49NO2Si — CID 14993601

IUPACN-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCC[Si](C)(OC)OC
InChIInChI=1S/C22H49NO2Si/c1-6-8-10-12-14-16-19-23(20-17-15-13-11-9-7-2)21-18-22-26(5,24-3)25-4/h6-22H2,1-5H3
InChIKeyJSTMOTOJUCLLOX-UHFFFAOYSA-N
MW387.73 g/mol
LogP6.76
Rot. Bonds20

About N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine

N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine (PubChem CID 14993601) has the molecular formula C22H49NO2Si and a molecular weight of 387.73 g/mol. Its IUPAC name is N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine
PubChem CID14993601
Molecular FormulaC22H49NO2Si
Molecular Weight387.73 g/mol
Exact Mass387.35
IUPAC NameN-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCC[Si](C)(OC)OC
InChIInChI=1S/C22H49NO2Si/c1-6-8-10-12-14-16-19-23(20-17-15-13-11-9-7-2)21-18-22-26(5,24-3)25-4/h6-22H2,1-5H3
InChIKeyJSTMOTOJUCLLOX-UHFFFAOYSA-N
XLogP6.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

CID 62827
CID 62827
CID 62253
CID 62253
CID 170538
CID 170538
CID 62828
CID 62828
CID 9807252
CID 9807252
CID 23137628
CID 23137628
CID 170539
CID 170539
CID 189523
CID 189523
CID 9869225
CID 9869225
CID 14251649
CID 14251649
CID 20035026
CID 20035026
CID 87084375
CID 87084375

Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine?
The IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine (CID 14993601) is N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine.
What is the SMILES notation for N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine?
The canonical SMILES for N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine is CCCCCCCCN(CCCCCCCC)CCC[Si](C)(OC)OC.
What is the InChIKey of N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine?
The InChIKey is JSTMOTOJUCLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49NO2Si/c1-6-8-10-12-14-16-19-23(20-17-15-13-11-9-7-2)21-18-22-26(5,24-3)25-4/h6-22H2,1-5H3.
What are the key properties of N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine?
N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine has a molecular weight of 387.73 g/mol, XLogP of 6.76, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethoxy(methyl)silyl]propyl]-N-octyloctan-1-amine is sourced from PubChem (CID 14993601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).