4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C11H25N3O2 — CID 77062756

IUPAC4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-5-16-8-9(2)13-7-6-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeySLADVPWNGPUSFU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.16
Rot. Bonds8

About 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062756) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062756
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCC(C)NCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-5-16-8-9(2)13-7-6-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14)
InChIKeySLADVPWNGPUSFU-UHFFFAOYSA-N
XLogP1.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.16
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'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262
2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
CID 77032312
N'-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 79249626
3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921489
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104871369
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062756) is 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CCOCC(C)NCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is SLADVPWNGPUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-16-8-9(2)13-7-6-11(3,4)10(12)14-15/h9,13,15H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).