1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

C12H23F3N2O — CID 62004510

IUPAC1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOCC(F)(F)F)C1(CN)CCCCC1
InChIInChI=1S/C12H23F3N2O/c1-17(7-8-18-10-12(13,14)15)11(9-16)5-3-2-4-6-11/h2-10,16H2,1H3
InChIKeyBVKPMUGZFNLOTC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62004510) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62004510
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCN(CCOCC(F)(F)F)C1(CN)CCCCC1
InChIInChI=1S/C12H23F3N2O/c1-17(7-8-18-10-12(13,14)15)11(9-16)5-3-2-4-6-11/h2-10,16H2,1H3
InChIKeyBVKPMUGZFNLOTC-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-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 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62004510) is 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CN(CCOCC(F)(F)F)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is BVKPMUGZFNLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(7-8-18-10-12(13,14)15)11(9-16)5-3-2-4-6-11/h2-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62004510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).