N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide

C16H25N3O2 — CID 61363513

IUPACN-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
SMILESCOc1cc(OC)cc(/C(=N/C2CCCCCC2)NN)c1
InChIInChI=1S/C16H25N3O2/c1-20-14-9-12(10-15(11-14)21-2)16(19-17)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyZQAOGYADFMAUOD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.64
Rot. Bonds4

About N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide

N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide (PubChem CID 61363513) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
PubChem CID61363513
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
SMILESCOc1cc(OC)cc(/C(=N/C2CCCCCC2)NN)c1
InChIInChI=1S/C16H25N3O2/c1-20-14-9-12(10-15(11-14)21-2)16(19-17)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyZQAOGYADFMAUOD-UHFFFAOYSA-N
XLogP2.64
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide (CID 61363513) is N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide is COc1cc(OC)cc(/C(=N/C2CCCCCC2)NN)c1.
What is the InChIKey of N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide?
The InChIKey is ZQAOGYADFMAUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-14-9-12(10-15(11-14)21-2)16(19-17)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide?
N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide is sourced from PubChem (CID 61363513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).