N-dichlorosilyl-N-ethylcyclohexanamine

C8H17Cl2NSi — CID 123530536

IUPACN-dichlorosilyl-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)[SiH](Cl)Cl
InChIInChI=1S/C8H17Cl2NSi/c1-2-11(12(9)10)8-6-4-3-5-7-8/h8,12H,2-7H2,1H3
InChIKeyAHJGUTRUBXHSBO-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.84
Rot. Bonds3

About N-dichlorosilyl-N-ethylcyclohexanamine

N-dichlorosilyl-N-ethylcyclohexanamine (PubChem CID 123530536) has the molecular formula C8H17Cl2NSi and a molecular weight of 226.22 g/mol. Its IUPAC name is N-dichlorosilyl-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-dichlorosilyl-N-ethylcyclohexanamine
PubChem CID123530536
Molecular FormulaC8H17Cl2NSi
Molecular Weight226.22 g/mol
Exact Mass225.05
IUPAC NameN-dichlorosilyl-N-ethylcyclohexanamine
SMILESCCN(C1CCCCC1)[SiH](Cl)Cl
InChIInChI=1S/C8H17Cl2NSi/c1-2-11(12(9)10)8-6-4-3-5-7-8/h8,12H,2-7H2,1H3
InChIKeyAHJGUTRUBXHSBO-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-dichlorosilyl-N-ethylcyclohexanamine 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-dichlorosilyl-N-ethylcyclohexanamine?
The IUPAC name of N-dichlorosilyl-N-ethylcyclohexanamine (CID 123530536) is N-dichlorosilyl-N-ethylcyclohexanamine.
What is the SMILES notation for N-dichlorosilyl-N-ethylcyclohexanamine?
The canonical SMILES for N-dichlorosilyl-N-ethylcyclohexanamine is CCN(C1CCCCC1)[SiH](Cl)Cl.
What is the InChIKey of N-dichlorosilyl-N-ethylcyclohexanamine?
The InChIKey is AHJGUTRUBXHSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2NSi/c1-2-11(12(9)10)8-6-4-3-5-7-8/h8,12H,2-7H2,1H3.
What are the key properties of N-dichlorosilyl-N-ethylcyclohexanamine?
N-dichlorosilyl-N-ethylcyclohexanamine has a molecular weight of 226.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorosilyl-N-ethylcyclohexanamine is sourced from PubChem (CID 123530536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).