ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide

C19H31F3N4O — CID 170757378

IUPACethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
SMILESCC.CCOCc1cccc(C2CCC(C(F)(F)F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C17H25F3N4O.C2H6/c1-2-25-10-12-4-3-5-14(15(12)16(21)23-24-22)11-6-8-13(9-7-11)17(18,19)20;1-2/h3-5,11,13,24H,2,6-10,22H2,1H3,(H2,21,23);1-2H3
InChIKeyUSZCKADFKBLSAO-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.17
Rot. Bonds6

About ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide

ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide (PubChem CID 170757378) has the molecular formula C19H31F3N4O and a molecular weight of 388.48 g/mol. Its IUPAC name is ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide.

Molecular Properties

Compound Nameethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
PubChem CID170757378
Molecular FormulaC19H31F3N4O
Molecular Weight388.48 g/mol
Exact Mass388.24
IUPAC Nameethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
SMILESCC.CCOCc1cccc(C2CCC(C(F)(F)F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C17H25F3N4O.C2H6/c1-2-25-10-12-4-3-5-14(15(12)16(21)23-24-22)11-6-8-13(9-7-11)17(18,19)20;1-2/h3-5,11,13,24H,2,6-10,22H2,1H3,(H2,21,23);1-2H3
InChIKeyUSZCKADFKBLSAO-UHFFFAOYSA-N
XLogP4.17
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-[Amino(methyl)amino]-2-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]guanidine
CID 143539111
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-2H-tetrazole
CID 174311023
5-[2-(propoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
CID 174311192
5-[2-(2-methylpropoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]-2H-tetrazole
CID 174311200
5-[2-(4,4-difluorocyclohexyl)-6-(2-methylpropoxymethyl)phenyl]-2H-tetrazole
CID 178458207
2-(2,2,2-Trifluoroethoxymethyl)benzenecarboximidamide
CID 24689821
5-Fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 55171561
5-Fluoro-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 55171562
2-(Cyclohexylmethoxymethyl)-5-fluorobenzenecarboximidamide
CID 55171754
5-Fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 63290728
5-Fluoro-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 63290768

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide?
The IUPAC name of ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide (CID 170757378) is ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide.
What is the SMILES notation for ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide?
The canonical SMILES for ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide is CC.CCOCc1cccc(C2CCC(C(F)(F)F)CC2)c1/C(N)=N/NN.
What is the InChIKey of ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide?
The InChIKey is USZCKADFKBLSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O.C2H6/c1-2-25-10-12-4-3-5-14(15(12)16(21)23-24-22)11-6-8-13(9-7-11)17(18,19)20;1-2/h3-5,11,13,24H,2,6-10,22H2,1H3,(H2,21,23);1-2H3.
What are the key properties of ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide?
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide has a molecular weight of 388.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide is sourced from PubChem (CID 170757378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).