2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide

C7H17N3O — CID 43272969

IUPAC2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCCC(C)N(C)C/C(N)=N/O
InChIInChI=1S/C7H17N3O/c1-4-6(2)10(3)5-7(8)9-11/h6,11H,4-5H2,1-3H3,(H2,8,9)
InChIKeyUYVVLZPVTBUQEK-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.46
Rot. Bonds4

About 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide

2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide (PubChem CID 43272969) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
PubChem CID43272969
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
SMILESCCC(C)N(C)C/C(N)=N/O
InChIInChI=1S/C7H17N3O/c1-4-6(2)10(3)5-7(8)9-11/h6,11H,4-5H2,1-3H3,(H2,8,9)
InChIKeyUYVVLZPVTBUQEK-UHFFFAOYSA-N
XLogP0.46
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[methyl(3-methylbutan-2-yl)amino]ethanimidamide
CID 43570147
N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
CID 104876505
2-[1-[[butan-2-yl(methyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071512
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
CID 76929154
2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044627
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 76929176
1-[butan-2-yl(methyl)amino]butan-2-one
CID 62039500

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide (CID 43272969) is 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide is CCC(C)N(C)C/C(N)=N/O.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is UYVVLZPVTBUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-6(2)10(3)5-7(8)9-11/h6,11H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide?
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 43272969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).