N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide

C7H17N3O2 — CID 79378817

IUPACN'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)CC(C)(C)O
InChIInChI=1S/C7H17N3O2/c1-7(2,11)5-10(3)4-6(8)9-12/h11-12H,4-5H2,1-3H3,(H2,8,9)
InChIKeyUYPZJJXYPZWCHK-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.56
Rot. Bonds4

About N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide

N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide (PubChem CID 79378817) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
PubChem CID79378817
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
SMILESCN(CC(N)=NO)CC(C)(C)O
InChIInChI=1S/C7H17N3O2/c1-7(2,11)5-10(3)4-6(8)9-12/h11-12H,4-5H2,1-3H3,(H2,8,9)
InChIKeyUYPZJJXYPZWCHK-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.56
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

2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79387470
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
N'-hydroxy-2-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
CID 76988192
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79387020
N-(2-amino-2-hydroxyiminoethyl)-N-tert-butylcarbamate
CID 131731323
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanal
CID 79390637

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide (CID 79378817) is N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide is CN(CC(N)=NO)CC(C)(C)O.
What is the InChIKey of N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
The InChIKey is UYPZJJXYPZWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-7(2,11)5-10(3)4-6(8)9-12/h11-12H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide?
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide is sourced from PubChem (CID 79378817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).