3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide

C13H21N3O — CID 77026996

IUPAC3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1cccc(C)c1C
InChIInChI=1S/C13H21N3O/c1-4-11(8-13(14)16-17)15-12-7-5-6-9(2)10(12)3/h5-7,11,15,17H,4,8H2,1-3H3,(H2,14,16)
InChIKeyJCMOWVUKUNNTON-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds5

About 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide

3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide (PubChem CID 77026996) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide
PubChem CID77026996
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)Nc1cccc(C)c1C
InChIInChI=1S/C13H21N3O/c1-4-11(8-13(14)16-17)15-12-7-5-6-9(2)10(12)3/h5-7,11,15,17H,4,8H2,1-3H3,(H2,14,16)
InChIKeyJCMOWVUKUNNTON-UHFFFAOYSA-N
XLogP2.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 53
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

N'-hydroxy-3-[(2-methylphenyl)methylamino]pentanimidamide
CID 77029037
3-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032771
3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
CID 107607002
N'-hydroxy-3-[3-(trifluoromethyl)anilino]pentanimidamide
CID 77025930
2-(2,3-dimethylanilino)-3-methylpentanamide
CID 174388293
3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
CID 77026244
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pentanimidamide
CID 77025322
N-(2,3-dimethylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925032
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
CID 76934608
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide (CID 77026996) is 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)Nc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide?
The InChIKey is JCMOWVUKUNNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11(8-13(14)16-17)15-12-7-5-6-9(2)10(12)3/h5-7,11,15,17H,4,8H2,1-3H3,(H2,14,16).
What are the key properties of 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide?
3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).