N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine

C9H23ClN2Si — CID 87334189

IUPACN-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](Cl)(NC)C(C)(C)C
InChIInChI=1S/C9H23ClN2Si/c1-7-12(8-2)13(10,11-6)9(3,4)5/h11H,7-8H2,1-6H3
InChIKeyVYACUZCLSIEPDY-UHFFFAOYSA-N
MW222.84 g/mol
LogP2.53
Rot. Bonds4

About N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine

N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine (PubChem CID 87334189) has the molecular formula C9H23ClN2Si and a molecular weight of 222.84 g/mol. Its IUPAC name is N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine
PubChem CID87334189
Molecular FormulaC9H23ClN2Si
Molecular Weight222.84 g/mol
Exact Mass222.13
IUPAC NameN-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine
SMILESCCN(CC)[Si](Cl)(NC)C(C)(C)C
InChIInChI=1S/C9H23ClN2Si/c1-7-12(8-2)13(10,11-6)9(3,4)5/h11H,7-8H2,1-6H3
InChIKeyVYACUZCLSIEPDY-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine?
The IUPAC name of N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine (CID 87334189) is N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine?
The canonical SMILES for N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine is CCN(CC)[Si](Cl)(NC)C(C)(C)C.
What is the InChIKey of N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine?
The InChIKey is VYACUZCLSIEPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23ClN2Si/c1-7-12(8-2)13(10,11-6)9(3,4)5/h11H,7-8H2,1-6H3.
What are the key properties of N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine?
N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine has a molecular weight of 222.84 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl-chloro-(methylamino)silyl]-N-ethylethanamine is sourced from PubChem (CID 87334189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).