N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide

C10H21N3O2 — CID 76953566

IUPACN-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(NC(=O)C(C)(C)CC)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)12-9(14)10(3,4)6-2/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFIDWBXHPWPEXTI-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.06
Rot. Bonds5

About N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide

N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide (PubChem CID 76953566) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
PubChem CID76953566
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(NC(=O)C(C)(C)CC)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)12-9(14)10(3,4)6-2/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFIDWBXHPWPEXTI-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide (CID 76953566) is N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide is CCC(NC(=O)C(C)(C)CC)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is FIDWBXHPWPEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7(8(11)13-15)12-9(14)10(3,4)6-2/h7,15H,5-6H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide?
N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 76953566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).