N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3 — CID 61363510

IUPACN-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3/c15-14(16,17)12-9-5-4-8-11(12)13(20-18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,20)
InChIKeyUOSDYOKNXVDAAV-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.25
Rot. Bonds2

About N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide

N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 61363510) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID61363510
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3/c15-14(16,17)12-9-5-4-8-11(12)13(20-18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,20)
InChIKeyUOSDYOKNXVDAAV-UHFFFAOYSA-N
XLogP3.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide 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-amino-2-bromo-N'-cyclohexyl-3-methylbenzenecarboximidamide
CID 107983770
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
N-amino-N'-cyclopentylquinoline-8-carboximidamide
CID 55126699
N-amino-3-chloro-N'-cyclopentyl-2-methylbenzenecarboximidamide
CID 107099700
N-amino-N'-cycloheptylpyridine-2-carboximidamide
CID 61361948
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
CID 61360486
N-amino-N'-cyclopentylquinoline-2-carboximidamide
CID 61361524
N-amino-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 61363511
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide (CID 61363510) is N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is UOSDYOKNXVDAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)12-9-5-4-8-11(12)13(20-18)19-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,18H2,(H,19,20).
What are the key properties of N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide?
N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 285.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 61363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).