4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C12H27N3O2 — CID 79378564

IUPAC4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)CC(C)(C)O
InChIInChI=1S/C12H27N3O2/c1-6-15(9-12(4,5)16)8-7-11(2,3)10(13)14-17/h16-17H,6-9H2,1-5H3,(H2,13,14)
InChIKeyJDVZVRBLPZKFQM-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.24
Rot. Bonds7

About 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 79378564) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID79378564
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)CC(C)(C)O
InChIInChI=1S/C12H27N3O2/c1-6-15(9-12(4,5)16)8-7-11(2,3)10(13)14-17/h16-17H,6-9H2,1-5H3,(H2,13,14)
InChIKeyJDVZVRBLPZKFQM-UHFFFAOYSA-N
XLogP1.24
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 79378564) is 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CCN(CCC(C)(C)C(N)=NO)CC(C)(C)O.
What is the InChIKey of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is JDVZVRBLPZKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-6-15(9-12(4,5)16)8-7-11(2,3)10(13)14-17/h16-17H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 79378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).