N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine

C13H31NOSi — CID 106323897

IUPACN-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
SMILESCOCCNCC(C[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-13(2,3)12(11-16(5,6)7)10-14-8-9-15-4/h12,14H,8-11H2,1-7H3
InChIKeyFAJOAQSXHBNBJM-UHFFFAOYSA-N
MW245.48 g/mol
LogP3.22
Rot. Bonds7

About N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine

N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine (PubChem CID 106323897) has the molecular formula C13H31NOSi and a molecular weight of 245.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
PubChem CID106323897
Molecular FormulaC13H31NOSi
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC NameN-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
SMILESCOCCNCC(C[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C13H31NOSi/c1-13(2,3)12(11-16(5,6)7)10-14-8-9-15-4/h12,14H,8-11H2,1-7H3
InChIKeyFAJOAQSXHBNBJM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine (CID 106323897) is N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine is COCCNCC(C[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine?
The InChIKey is FAJOAQSXHBNBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NOSi/c1-13(2,3)12(11-16(5,6)7)10-14-8-9-15-4/h12,14H,8-11H2,1-7H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine?
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine has a molecular weight of 245.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine is sourced from PubChem (CID 106323897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).