3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine

C14H22ClN3OSi — CID 154488509

IUPAC3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine
SMILESC[Si](C)(C)CCOCN=C(C=CN)c1ccc(Cl)nc1
InChIInChI=1S/C14H22ClN3OSi/c1-20(2,3)9-8-19-11-18-13(6-7-16)12-4-5-14(15)17-10-12/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyRPUSXMQACKOKFF-UHFFFAOYSA-N
MW311.89 g/mol
LogP3.31
Rot. Bonds7

About 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine

3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine (PubChem CID 154488509) has the molecular formula C14H22ClN3OSi and a molecular weight of 311.89 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine
PubChem CID154488509
Molecular FormulaC14H22ClN3OSi
Molecular Weight311.89 g/mol
Exact Mass311.12
IUPAC Name3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine
SMILESC[Si](C)(C)CCOCN=C(C=CN)c1ccc(Cl)nc1
InChIInChI=1S/C14H22ClN3OSi/c1-20(2,3)9-8-19-11-18-13(6-7-16)12-4-5-14(15)17-10-12/h4-7,10H,8-9,11,16H2,1-3H3
InChIKeyRPUSXMQACKOKFF-UHFFFAOYSA-N
XLogP3.31
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-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 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine (CID 154488509) is 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine is C[Si](C)(C)CCOCN=C(C=CN)c1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine?
The InChIKey is RPUSXMQACKOKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3OSi/c1-20(2,3)9-8-19-11-18-13(6-7-16)12-4-5-14(15)17-10-12/h4-7,10H,8-9,11,16H2,1-3H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine?
3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine has a molecular weight of 311.89 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-3-(2-trimethylsilylethoxymethylimino)prop-1-en-1-amine is sourced from PubChem (CID 154488509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).