3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide

C10H17F3N2O — CID 43653225

IUPAC3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
SMILESCNC1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-14-7-2-4-8(5-3-7)15-9(16)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeySIURHNGYRJZULM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide

3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide (PubChem CID 43653225) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
PubChem CID43653225
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
SMILESCNC1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-14-7-2-4-8(5-3-7)15-9(16)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeySIURHNGYRJZULM-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
N-(1-acetylazetidin-3-yl)-3,3,3-trifluoropropanamide
CID 126789274
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
CID 107585044
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
CID 136527089
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
[2-(cyclopropylamino)-2-oxoethyl] hypofluorite
CID 89179896
N-[4-(methylamino)cyclohexyl]pent-4-enamide
CID 79110901

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide (CID 43653225) is 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide is CNC1CCC(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide?
The InChIKey is SIURHNGYRJZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-14-7-2-4-8(5-3-7)15-9(16)6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide?
3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide is sourced from PubChem (CID 43653225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).