N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide

C15H23N3O2 — CID 61362533

IUPACN-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide
SMILESCOc1ccc(C/C(=N/C2CCCC2)NN)cc1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-8-7-11(9-14(13)20-2)10-15(18-16)17-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyFGMVCRYFGVJDQR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds5

About N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide

N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide (PubChem CID 61362533) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide
PubChem CID61362533
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide
SMILESCOc1ccc(C/C(=N/C2CCCC2)NN)cc1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-8-7-11(9-14(13)20-2)10-15(18-16)17-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18)
InChIKeyFGMVCRYFGVJDQR-UHFFFAOYSA-N
XLogP2.05
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
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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Related Compounds

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
CID 62921240

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide (CID 61362533) is N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide is COc1ccc(C/C(=N/C2CCCC2)NN)cc1OC.
What is the InChIKey of N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide?
The InChIKey is FGMVCRYFGVJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-13-8-7-11(9-14(13)20-2)10-15(18-16)17-12-5-3-4-6-12/h7-9,12H,3-6,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide?
N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide has a molecular weight of 277.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-(3,4-dimethoxyphenyl)ethanimidamide is sourced from PubChem (CID 61362533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).