N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine

C16H37NSi2 — CID 154123100

IUPACN-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine
SMILESCC[Si](CC)(CC)CCCCNCC[SiH2]C=C(C)C
InChIInChI=1S/C16H37NSi2/c1-6-19(7-2,8-3)14-10-9-11-17-12-13-18-15-16(4)5/h15,17H,6-14,18H2,1-5H3
InChIKeyRZCDEOLMNCZWQC-UHFFFAOYSA-N
MW299.65 g/mol
LogP4.38
Rot. Bonds12

About N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine

N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine (PubChem CID 154123100) has the molecular formula C16H37NSi2 and a molecular weight of 299.65 g/mol. Its IUPAC name is N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine
PubChem CID154123100
Molecular FormulaC16H37NSi2
Molecular Weight299.65 g/mol
Exact Mass299.25
IUPAC NameN-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine
SMILESCC[Si](CC)(CC)CCCCNCC[SiH2]C=C(C)C
InChIInChI=1S/C16H37NSi2/c1-6-19(7-2,8-3)14-10-9-11-17-12-13-18-15-16(4)5/h15,17H,6-14,18H2,1-5H3
InChIKeyRZCDEOLMNCZWQC-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The IUPAC name of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine (CID 154123100) is N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine is CC[Si](CC)(CC)CCCCNCC[SiH2]C=C(C)C.
What is the InChIKey of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
The InChIKey is RZCDEOLMNCZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NSi2/c1-6-19(7-2,8-3)14-10-9-11-17-12-13-18-15-16(4)5/h15,17H,6-14,18H2,1-5H3.
What are the key properties of N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine?
N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine has a molecular weight of 299.65 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-1-enylsilyl)ethyl]-4-triethylsilylbutan-1-amine is sourced from PubChem (CID 154123100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).