4-aminobenzenecarboximidamide;ethane

C11H21N3 — CID 142339418

IUPAC4-aminobenzenecarboximidamide;ethane
SMILESCC.CC.[H]/N=C(\N)c1ccc(N)cc1
InChIInChI=1S/C7H9N3.2C2H6/c8-6-3-1-5(2-4-6)7(9)10;2*1-2/h1-4H,8H2,(H3,9,10);2*1-2H3
InChIKeyFHXUPJUSVPEGRH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.61
Rot. Bonds1

About 4-aminobenzenecarboximidamide;ethane

4-aminobenzenecarboximidamide;ethane (PubChem CID 142339418) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-aminobenzenecarboximidamide;ethane.

Molecular Properties

Compound Name4-aminobenzenecarboximidamide;ethane
PubChem CID142339418
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-aminobenzenecarboximidamide;ethane
SMILESCC.CC.[H]/N=C(\N)c1ccc(N)cc1
InChIInChI=1S/C7H9N3.2C2H6/c8-6-3-1-5(2-4-6)7(9)10;2*1-2/h1-4H,8H2,(H3,9,10);2*1-2H3
InChIKeyFHXUPJUSVPEGRH-UHFFFAOYSA-N
XLogP2.61
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethanimidoylbenzenecarboximidamide
CID 148687988
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
CID 158147655
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
benzenecarboximidamide;sulfane
CID 172701796
4-aminooxybenzenecarboximidamide
CID 10441869
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
benzenecarboximidamide;hydron;chloride
CID 66824376
borinine-4-carboximidamide
CID 141334946
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenecarboximidamide;ethane?
The IUPAC name of 4-aminobenzenecarboximidamide;ethane (CID 142339418) is 4-aminobenzenecarboximidamide;ethane.
What is the SMILES notation for 4-aminobenzenecarboximidamide;ethane?
The canonical SMILES for 4-aminobenzenecarboximidamide;ethane is CC.CC.[H]/N=C(\N)c1ccc(N)cc1.
What is the InChIKey of 4-aminobenzenecarboximidamide;ethane?
The InChIKey is FHXUPJUSVPEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.2C2H6/c8-6-3-1-5(2-4-6)7(9)10;2*1-2/h1-4H,8H2,(H3,9,10);2*1-2H3.
What are the key properties of 4-aminobenzenecarboximidamide;ethane?
4-aminobenzenecarboximidamide;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenecarboximidamide;ethane is sourced from PubChem (CID 142339418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).