N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine

C17H39NSi2 — CID 154135830

IUPACN-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine
SMILESCC[Si](CC)(CC)CCCCNCCC[SiH2]C=C(C)C
InChIInChI=1S/C17H39NSi2/c1-6-20(7-2,8-3)15-10-9-12-18-13-11-14-19-16-17(4)5/h16,18H,6-15,19H2,1-5H3
InChIKeyZZQDATACJKBIJQ-UHFFFAOYSA-N
MW313.68 g/mol
LogP4.77
Rot. Bonds13

About N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine

N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine (PubChem CID 154135830) has the molecular formula C17H39NSi2 and a molecular weight of 313.68 g/mol. Its IUPAC name is N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine
PubChem CID154135830
Molecular FormulaC17H39NSi2
Molecular Weight313.68 g/mol
Exact Mass313.26
IUPAC NameN-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine
SMILESCC[Si](CC)(CC)CCCCNCCC[SiH2]C=C(C)C
InChIInChI=1S/C17H39NSi2/c1-6-20(7-2,8-3)15-10-9-12-18-13-11-14-19-16-17(4)5/h16,18H,6-15,19H2,1-5H3
InChIKeyZZQDATACJKBIJQ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.68
LogP ≤ 54.77
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'}

Analyze N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine?
The IUPAC name of N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine (CID 154135830) is N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine.
What is the SMILES notation for N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine?
The canonical SMILES for N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine is CC[Si](CC)(CC)CCCCNCCC[SiH2]C=C(C)C.
What is the InChIKey of N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine?
The InChIKey is ZZQDATACJKBIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NSi2/c1-6-20(7-2,8-3)15-10-9-12-18-13-11-14-19-16-17(4)5/h16,18H,6-15,19H2,1-5H3.
What are the key properties of N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine?
N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine has a molecular weight of 313.68 g/mol, XLogP of 4.77, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-1-enylsilyl)propyl]-4-triethylsilylbutan-1-amine is sourced from PubChem (CID 154135830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).