N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine

C16H20F3N5 — CID 175996206

IUPACN-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine
SMILESCN(Cc1nnnn1-c1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3N5/c1-23(13-7-3-2-4-8-13)11-15-20-21-22-24(15)14-9-5-6-12(10-14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyNCSKMAXMNSKJGG-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.45
Rot. Bonds4

About N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine

N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine (PubChem CID 175996206) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine
PubChem CID175996206
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC NameN-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine
SMILESCN(Cc1nnnn1-c1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3N5/c1-23(13-7-3-2-4-8-13)11-15-20-21-22-24(15)14-9-5-6-12(10-14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyNCSKMAXMNSKJGG-UHFFFAOYSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine 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-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine (CID 175996206) is N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine is CN(Cc1nnnn1-c1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine?
The InChIKey is NCSKMAXMNSKJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-23(13-7-3-2-4-8-13)11-15-20-21-22-24(15)14-9-5-6-12(10-14)16(17,18)19/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine?
N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine has a molecular weight of 339.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]cyclohexanamine is sourced from PubChem (CID 175996206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).