2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide

C9H21N3O2 — CID 79379101

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC(C)(C)O)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-5-12(6-9(3,4)13)7(2)8(10)11-14/h7,13-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyHRAHYLCHPZRTOD-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.21
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 79379101) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID79379101
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCN(CC(C)(C)O)C(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-5-12(6-9(3,4)13)7(2)8(10)11-14/h7,13-14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyHRAHYLCHPZRTOD-UHFFFAOYSA-N
XLogP0.21
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.21
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 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 79379101) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide is CCN(CC(C)(C)O)C(C)C(N)=NO.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is HRAHYLCHPZRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-5-12(6-9(3,4)13)7(2)8(10)11-14/h7,13-14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 79379101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).