N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide

C14H23N3O — CID 77063059

IUPACN'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,13(15)16-18)10-7-11-17(3)12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H2,15,16)
InChIKeyNOAXGAXYTOOOJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide (PubChem CID 77063059) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
PubChem CID77063059
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,13(15)16-18)10-7-11-17(3)12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H2,15,16)
InChIKeyNOAXGAXYTOOOJY-UHFFFAOYSA-N
XLogP2.68
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
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'}

Analyze N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide 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

5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063573
5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106760070
2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
CID 55159960
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide (CID 77063059) is N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide is CN(CCCC(C)(C)C(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide?
The InChIKey is NOAXGAXYTOOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,13(15)16-18)10-7-11-17(3)12-8-5-4-6-9-12/h4-6,8-9,18H,7,10-11H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide is sourced from PubChem (CID 77063059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).