N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide

C13H21N3O2 — CID 61424625

IUPACN'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
SMILESCCCN(CCO)Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C13H21N3O2/c1-2-6-16(7-8-17)10-11-4-3-5-12(9-11)13(14)15-18/h3-5,9,17-18H,2,6-8,10H2,1H3,(H2,14,15)
InChIKeyQXNVNHKNOYGTHN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds7

About N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide (PubChem CID 61424625) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
PubChem CID61424625
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
SMILESCCCN(CCO)Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C13H21N3O2/c1-2-6-16(7-8-17)10-11-4-3-5-12(9-11)13(14)15-18/h3-5,9,17-18H,2,6-8,10H2,1H3,(H2,14,15)
InChIKeyQXNVNHKNOYGTHN-UHFFFAOYSA-N
XLogP0.99
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(dipropylamino)methyl]benzamide
CID 82041313
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
CID 22569822
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylpentanamide
CID 76932782
N'-hydroxy-2-[(3-methylphenyl)methyl-propylamino]ethanimidamide
CID 76927653
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide (CID 61424625) is N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide is CCCN(CCO)Cc1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide?
The InChIKey is QXNVNHKNOYGTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-6-16(7-8-17)10-11-4-3-5-12(9-11)13(14)15-18/h3-5,9,17-18H,2,6-8,10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 61424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).