4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide

C12H15N3 — CID 129190559

IUPAC4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C=C)CC=C)cc1
InChIInChI=1S/C12H15N3/c1-3-9-15(4-2)11-7-5-10(6-8-11)12(13)14/h3-8H,1-2,9H2,(H3,13,14)
InChIKeyBYWPNDGFNULSJC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.11
Rot. Bonds5

About 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide

4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide (PubChem CID 129190559) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide
PubChem CID129190559
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C=C)CC=C)cc1
InChIInChI=1S/C12H15N3/c1-3-9-15(4-2)11-7-5-10(6-8-11)12(13)14/h3-8H,1-2,9H2,(H3,13,14)
InChIKeyBYWPNDGFNULSJC-UHFFFAOYSA-N
XLogP2.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 55000060
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
1-phenyl-1-prop-2-enylguanidine
CID 95911307

Frequently Asked Questions

What is the IUPAC name of 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide (CID 129190559) is 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C=C)CC=C)cc1.
What is the InChIKey of 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide?
The InChIKey is BYWPNDGFNULSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9-15(4-2)11-7-5-10(6-8-11)12(13)14/h3-8H,1-2,9H2,(H3,13,14).
What are the key properties of 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide?
4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide has a molecular weight of 201.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethenyl(prop-2-enyl)amino]benzenecarboximidamide is sourced from PubChem (CID 129190559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).