N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide

C13H21N3O2 — CID 76938893

IUPACN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
SMILESCCCN(CCO)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C13H21N3O2/c1-3-6-16(7-8-17)12-9-10(2)4-5-11(12)13(14)15-18/h4-5,9,17-18H,3,6-8H2,1-2H3,(H2,14,15)
InChIKeyIAMVDRSICFPQCE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds6

About N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide

N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide (PubChem CID 76938893) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
PubChem CID76938893
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
SMILESCCCN(CCO)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C13H21N3O2/c1-3-6-16(7-8-17)12-9-10(2)4-5-11(12)13(14)15-18/h4-5,9,17-18H,3,6-8H2,1-2H3,(H2,14,15)
InChIKeyIAMVDRSICFPQCE-UHFFFAOYSA-N
XLogP1.30
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
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-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide 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

2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107929847
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide (CID 76938893) is N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide is CCCN(CCO)c1cc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is IAMVDRSICFPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-16(7-8-17)12-9-10(2)4-5-11(12)13(14)15-18/h4-5,9,17-18H,3,6-8H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide?
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 251.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).