N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide

C15H22ClN3O — CID 61363310

IUPACN-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
SMILESNN/C(COc1ccc(Cl)cc1)=N/C1CCCCCC1
InChIInChI=1S/C15H22ClN3O/c16-12-7-9-14(10-8-12)20-11-15(19-17)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11,17H2,(H,18,19)
InChIKeyMCCPKQGRNRCVFN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.30
Rot. Bonds4

About N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide

N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide (PubChem CID 61363310) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
PubChem CID61363310
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
SMILESNN/C(COc1ccc(Cl)cc1)=N/C1CCCCCC1
InChIInChI=1S/C15H22ClN3O/c16-12-7-9-14(10-8-12)20-11-15(19-17)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11,17H2,(H,18,19)
InChIKeyMCCPKQGRNRCVFN-UHFFFAOYSA-N
XLogP3.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
CID 62504643
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-amino-N'-cyclopentyl-2-propoxyethanimidamide
CID 107940791
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
1-(4-chlorophenoxy)-4-cyclopentylbutan-2-one
CID 114192959

Frequently Asked Questions

What is the IUPAC name of N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide?
The IUPAC name of N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide (CID 61363310) is N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide.
What is the SMILES notation for N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide?
The canonical SMILES for N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide is NN/C(COc1ccc(Cl)cc1)=N/C1CCCCCC1.
What is the InChIKey of N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide?
The InChIKey is MCCPKQGRNRCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-12-7-9-14(10-8-12)20-11-15(19-17)18-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11,17H2,(H,18,19).
What are the key properties of N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide?
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide has a molecular weight of 295.81 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide is sourced from PubChem (CID 61363310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).