N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine

C18H31NOSi — CID 18407104

IUPACN-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine
SMILESC=CCC(CNC)(COCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NOSi/c1-6-12-18(15-19-2,17-10-8-7-9-11-17)16-20-13-14-21(3,4)5/h6-11,19H,1,12-16H2,2-5H3
InChIKeyPINLEMYELMEWOR-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.07
Rot. Bonds10

About N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine

N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine (PubChem CID 18407104) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine
PubChem CID18407104
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC NameN-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine
SMILESC=CCC(CNC)(COCC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H31NOSi/c1-6-12-18(15-19-2,17-10-8-7-9-11-17)16-20-13-14-21(3,4)5/h6-11,19H,1,12-16H2,2-5H3
InChIKeyPINLEMYELMEWOR-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.07
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-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-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine?
The IUPAC name of N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine (CID 18407104) is N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine is C=CCC(CNC)(COCC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine?
The InChIKey is PINLEMYELMEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-6-12-18(15-19-2,17-10-8-7-9-11-17)16-20-13-14-21(3,4)5/h6-11,19H,1,12-16H2,2-5H3.
What are the key properties of N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine?
N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine has a molecular weight of 305.54 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(2-trimethylsilylethoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 18407104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).