4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide

C11H15N3O — CID 170487280

IUPAC4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide
SMILESNCCC=Cc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H15N3O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14-15/h1,3-7,15H,2,8,12H2,(H2,13,14)
InChIKeyKGXXISKNNOINLU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds4

About 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide

4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 170487280) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide
PubChem CID170487280
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide
SMILESNCCC=Cc1ccc(C(N)=NO)cc1
InChIInChI=1S/C11H15N3O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14-15/h1,3-7,15H,2,8,12H2,(H2,13,14)
InChIKeyKGXXISKNNOINLU-UHFFFAOYSA-N
XLogP1.14
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 175302476
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
4-(4-aminobut-1-enyl)-N-cyclopropylbenzamide
CID 170487710
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
2-[4-(4-aminobut-1-enyl)phenyl]acetonitrile
CID 170486977
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
CID 23469521
N'-hydroxybenzenecarboximidamide
CID 142861747
(E)-4-(4-cyclopropyloxyphenyl)but-3-en-1-amine
CID 114520420
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide (CID 170487280) is 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide is NCCC=Cc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is KGXXISKNNOINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14-15/h1,3-7,15H,2,8,12H2,(H2,13,14).
What are the key properties of 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide?
4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 205.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 170487280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).