N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H16F6N2O — CID 103310394

IUPACN-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCC1CCCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-4-2-1-3-6(7)5-18/h6-8H,1-5,18H2,(H,19,20)
InChIKeyNCIGEPKFOLSRAK-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.36
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310394) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310394
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCC1CCCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-4-2-1-3-6(7)5-18/h6-8H,1-5,18H2,(H,19,20)
InChIKeyNCIGEPKFOLSRAK-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)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-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308995
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310467
3,3,3-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)propanamide
CID 103310253
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119603444
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310394) is N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NCC1CCCCC1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is NCIGEPKFOLSRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-4-2-1-3-6(7)5-18/h6-8H,1-5,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 306.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).