3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide

C16H17N5 — CID 24846143

IUPAC3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2N)cc1
InChIInChI=1S/C16H17N5/c17-14-9-13(16(20)21)8-7-11(14)4-1-10-2-5-12(6-3-10)15(18)19/h1-9H,17H2,(H3,18,19)(H3,20,21)/b4-1-
InChIKeyYZGMZUFNZHEFFQ-RJRFIUFISA-N
MW279.35 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide

3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide (PubChem CID 24846143) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
PubChem CID24846143
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2N)cc1
InChIInChI=1S/C16H17N5/c17-14-9-13(16(20)21)8-7-11(14)4-1-10-2-5-12(6-3-10)15(18)19/h1-9H,17H2,(H3,18,19)(H3,20,21)/b4-1-
InChIKeyYZGMZUFNZHEFFQ-RJRFIUFISA-N
XLogP2.01
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
CID 6433163
4-(3-chloroprop-1-enyl)benzenecarboximidamide
CID 169477282
3-(4-carbamimidoylphenyl)prop-2-enoic acid
CID 54071755
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
CID 6435280
4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
CID 102026982
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
2-[(1E,3E,5E)-6-(4-carbamimidoylphenyl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
CID 6435281
4-aminobenzenecarboximidamide;ethane
CID 142339418

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide (CID 24846143) is 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/C=C\c2ccc(/C(N)=N/[H])cc2N)cc1.
What is the InChIKey of 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
The InChIKey is YZGMZUFNZHEFFQ-RJRFIUFISA-N. The full InChI is InChI=1S/C16H17N5/c17-14-9-13(16(20)21)8-7-11(14)4-1-10-2-5-12(6-3-10)15(18)19/h1-9H,17H2,(H3,18,19)(H3,20,21)/b4-1-.
What are the key properties of 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide?
3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide has a molecular weight of 279.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 24846143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).