N'-hydroxy-4-(2-methylanilino)butanimidamide

C11H17N3O — CID 77025856

IUPACN'-hydroxy-4-(2-methylanilino)butanimidamide
SMILESCc1ccccc1NCCCC(N)=NO
InChIInChI=1S/C11H17N3O/c1-9-5-2-3-6-10(9)13-8-4-7-11(12)14-15/h2-3,5-6,13,15H,4,7-8H2,1H3,(H2,12,14)
InChIKeyXBFYYWAJKFHJFJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.93
Rot. Bonds5

About N'-hydroxy-4-(2-methylanilino)butanimidamide

N'-hydroxy-4-(2-methylanilino)butanimidamide (PubChem CID 77025856) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylanilino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylanilino)butanimidamide
PubChem CID77025856
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-hydroxy-4-(2-methylanilino)butanimidamide
SMILESCc1ccccc1NCCCC(N)=NO
InChIInChI=1S/C11H17N3O/c1-9-5-2-3-6-10(9)13-8-4-7-11(12)14-15/h2-3,5-6,13,15H,4,7-8H2,1H3,(H2,12,14)
InChIKeyXBFYYWAJKFHJFJ-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
N'-hydroxy-2-(2-methylanilino)ethanimidamide
CID 54379643
N'-hydroxy-4-[(2-methylphenyl)methylamino]butanimidamide
CID 77029228
3-(2-methylanilino)propan-1-ol
CID 18005925
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
N-[(E)-hex-4-enyl]-2-methylaniline
CID 70268185
4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028778
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
CID 79766667
4-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylanilino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-methylanilino)butanimidamide (CID 77025856) is N'-hydroxy-4-(2-methylanilino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylanilino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylanilino)butanimidamide is Cc1ccccc1NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(2-methylanilino)butanimidamide?
The InChIKey is XBFYYWAJKFHJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-5-2-3-6-10(9)13-8-4-7-11(12)14-15/h2-3,5-6,13,15H,4,7-8H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-(2-methylanilino)butanimidamide?
N'-hydroxy-4-(2-methylanilino)butanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylanilino)butanimidamide is sourced from PubChem (CID 77025856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).