2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane

C18H30F2N4O — CID 170757040

IUPAC2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
SMILESCC.CCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C16H24F2N4O.C2H6/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11;1-2/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21);1-2H3
InChIKeyRQOVIWUTELATND-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.63
Rot. Bonds6

About 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane

2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane (PubChem CID 170757040) has the molecular formula C18H30F2N4O and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
PubChem CID170757040
Molecular FormulaC18H30F2N4O
Molecular Weight356.46 g/mol
Exact Mass356.24
IUPAC Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
SMILESCC.CCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C16H24F2N4O.C2H6/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11;1-2/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21);1-2H3
InChIKeyRQOVIWUTELATND-UHFFFAOYSA-N
XLogP3.63
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.63
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
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
3-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 170757566
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
2-(2,2,2-Trifluoroethoxymethyl)benzenecarboximidamide
CID 24689821
2-(2,2,3,3-Tetrafluoropropoxymethyl)benzenecarboximidamide
CID 29004870
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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane (CID 170757040) is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane is CC.CCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane?
The InChIKey is RQOVIWUTELATND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O.C2H6/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11;1-2/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21);1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane?
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane has a molecular weight of 356.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane is sourced from PubChem (CID 170757040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).