N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide

C12H24ClNO — CID 106441524

IUPACN-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)CCCl)CC(C)(C)C
InChIInChI=1S/C12H24ClNO/c1-10(9-12(2,3)4)8-11(15)14(5)7-6-13/h10H,6-9H2,1-5H3
InChIKeyUZNIFMCSCUVJSE-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.15
Rot. Bonds5

About N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide

N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide (PubChem CID 106441524) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
PubChem CID106441524
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide
SMILESCC(CC(=O)N(C)CCCl)CC(C)(C)C
InChIInChI=1S/C12H24ClNO/c1-10(9-12(2,3)4)8-11(15)14(5)7-6-13/h10H,6-9H2,1-5H3
InChIKeyUZNIFMCSCUVJSE-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide 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-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide?
The IUPAC name of N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide (CID 106441524) is N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide.
What is the SMILES notation for N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide?
The canonical SMILES for N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide is CC(CC(=O)N(C)CCCl)CC(C)(C)C.
What is the InChIKey of N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide?
The InChIKey is UZNIFMCSCUVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(9-12(2,3)4)8-11(15)14(5)7-6-13/h10H,6-9H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide?
N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide has a molecular weight of 233.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,3,5,5-tetramethylhexanamide is sourced from PubChem (CID 106441524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).