5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide

C15H26N4O — CID 106760070

IUPAC5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)c1ccccc1NCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-15(2,14(16)18-20)10-7-11-17-12-8-5-6-9-13(12)19(3)4/h5-6,8-9,17,20H,7,10-11H2,1-4H3,(H2,16,18)
InChIKeyZTDHHIHACLWJRT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds7

About 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 106760070) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID106760070
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)c1ccccc1NCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C15H26N4O/c1-15(2,14(16)18-20)10-7-11-17-12-8-5-6-9-13(12)19(3)4/h5-6,8-9,17,20H,7,10-11H2,1-4H3,(H2,16,18)
InChIKeyZTDHHIHACLWJRT-UHFFFAOYSA-N
XLogP2.72
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 24694324
2-Hydroxyimino-1,2,3,4-tetrahydroquinoxaline
CID 129798923
beta-(4-Phenylpiperazin-1-yl)propioamidoxime
CID 74314009
2-(4-fluoroanilino)-N'-hydroxypropanimidamide
CID 64328647
2-(2-fluoroanilino)-N'-hydroxypropanimidamide
CID 64329491
2-(3-fluoroanilino)-N'-hydroxypropanimidamide
CID 77026500
2-(3-fluoroanilino)-N'-hydroxybutanimidamide
CID 77026710
2-(4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77026741
2-(4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77026853
2-(2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77027269
2-(2-fluoroanilino)-N'-hydroxypropanimidamide
CID 77027479
4-(4-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061778

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 106760070) is 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide is CN(C)c1ccccc1NCCCC(C)(C)/C(N)=N/O.
What is the InChIKey of 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ZTDHHIHACLWJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,14(16)18-20)10-7-11-17-12-8-5-6-9-13(12)19(3)4/h5-6,8-9,17,20H,7,10-11H2,1-4H3,(H2,16,18).
What are the key properties of 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 278.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106760070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).