2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide

C12H19N3O — CID 43268814

IUPAC2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCN(CC)c1ccccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O/c1-3-9-15(4-2)11-8-6-5-7-10(11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14)
InChIKeyHHFLCSGCVXPAND-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds5

About 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide

2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 43268814) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID43268814
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCCN(CC)c1ccccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O/c1-3-9-15(4-2)11-8-6-5-7-10(11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14)
InChIKeyHHFLCSGCVXPAND-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
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

2-[bis[(3Z)-3-amino-3-hydroxyiminopropyl]amino]-N'-hydroxybenzenecarboximidamide
CID 173487868
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-(diethylamino)-N'-hydroxyquinoline-3-carboximidamide
CID 77034239
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide (CID 43268814) is 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide is CCCN(CC)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HHFLCSGCVXPAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-15(4-2)11-8-6-5-7-10(11)12(13)14-16/h5-8,16H,3-4,9H2,1-2H3,(H2,13,14).
What are the key properties of 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide?
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).