N-methyl-N-(trifluoromethyl)cyclohexen-1-amine

C8H12F3N — CID 166661074

IUPACN-methyl-N-(trifluoromethyl)cyclohexen-1-amine
SMILESCN(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-12(8(9,10)11)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKeyJJKDYHQCPZWRFB-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.90
Rot. Bonds1

About N-methyl-N-(trifluoromethyl)cyclohexen-1-amine

N-methyl-N-(trifluoromethyl)cyclohexen-1-amine (PubChem CID 166661074) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)cyclohexen-1-amine
PubChem CID166661074
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC NameN-methyl-N-(trifluoromethyl)cyclohexen-1-amine
SMILESCN(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-12(8(9,10)11)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKeyJJKDYHQCPZWRFB-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-N-(trifluoromethyl)cyclohexen-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 N-methyl-N-(trifluoromethyl)cyclohexen-1-amine?
The IUPAC name of N-methyl-N-(trifluoromethyl)cyclohexen-1-amine (CID 166661074) is N-methyl-N-(trifluoromethyl)cyclohexen-1-amine.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)cyclohexen-1-amine?
The canonical SMILES for N-methyl-N-(trifluoromethyl)cyclohexen-1-amine is CN(C1=CCCCC1)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)cyclohexen-1-amine?
The InChIKey is JJKDYHQCPZWRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-12(8(9,10)11)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3.
What are the key properties of N-methyl-N-(trifluoromethyl)cyclohexen-1-amine?
N-methyl-N-(trifluoromethyl)cyclohexen-1-amine has a molecular weight of 179.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)cyclohexen-1-amine is sourced from PubChem (CID 166661074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).