N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide

C9H19N3O2 — CID 76987705

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(2)9(13)12(4)7(3)5-8(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11)
InChIKeyDEGJOVVOGJYSSI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.63
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide (PubChem CID 76987705) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
PubChem CID76987705
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(2)9(13)12(4)7(3)5-8(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11)
InChIKeyDEGJOVVOGJYSSI-UHFFFAOYSA-N
XLogP0.63
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.63
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

1-(4-amino-4-hydroxyiminobutan-2-yl)-1-methyl-3-propan-2-ylurea
CID 76987840
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide
CID 103022110
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103022109
1-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-1-methyl-3-phenylurea
CID 63224229
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211595
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
CID 76987480
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
CID 79808249

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide (CID 76987705) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide?
The InChIKey is DEGJOVVOGJYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)9(13)12(4)7(3)5-8(10)11-14/h6-7,14H,5H2,1-4H3,(H2,10,11).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 76987705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).