N-(trichloromethyl)cyclohexanamine

C7H12Cl3N — CID 139668019

IUPACN-(trichloromethyl)cyclohexanamine
SMILESClC(Cl)(Cl)NC1CCCCC1
InChIInChI=1S/C7H12Cl3N/c8-7(9,10)11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyWNXQEKAVSVMZPV-UHFFFAOYSA-N
MW216.54 g/mol
LogP3.24
Rot. Bonds1

About N-(trichloromethyl)cyclohexanamine

N-(trichloromethyl)cyclohexanamine (PubChem CID 139668019) has the molecular formula C7H12Cl3N and a molecular weight of 216.54 g/mol. Its IUPAC name is N-(trichloromethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(trichloromethyl)cyclohexanamine
PubChem CID139668019
Molecular FormulaC7H12Cl3N
Molecular Weight216.54 g/mol
Exact Mass215.00
IUPAC NameN-(trichloromethyl)cyclohexanamine
SMILESClC(Cl)(Cl)NC1CCCCC1
InChIInChI=1S/C7H12Cl3N/c8-7(9,10)11-6-4-2-1-3-5-6/h6,11H,1-5H2
InChIKeyWNXQEKAVSVMZPV-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trichloromethyl)cyclohexanamine?
The IUPAC name of N-(trichloromethyl)cyclohexanamine (CID 139668019) is N-(trichloromethyl)cyclohexanamine.
What is the SMILES notation for N-(trichloromethyl)cyclohexanamine?
The canonical SMILES for N-(trichloromethyl)cyclohexanamine is ClC(Cl)(Cl)NC1CCCCC1.
What is the InChIKey of N-(trichloromethyl)cyclohexanamine?
The InChIKey is WNXQEKAVSVMZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl3N/c8-7(9,10)11-6-4-2-1-3-5-6/h6,11H,1-5H2.
What are the key properties of N-(trichloromethyl)cyclohexanamine?
N-(trichloromethyl)cyclohexanamine has a molecular weight of 216.54 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trichloromethyl)cyclohexanamine is sourced from PubChem (CID 139668019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).