3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide

C9H17N3O2 — CID 76928487

IUPAC3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CC1(C)C)C(N)=NO
InChIInChI=1S/C9H17N3O2/c1-5(7(10)12-14)8(13)11-6-4-9(6,2)3/h5-6,14H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyYKSKVXHDXGMLRP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.28
Rot. Bonds3

About 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 76928487) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID76928487
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC1CC1(C)C)C(N)=NO
InChIInChI=1S/C9H17N3O2/c1-5(7(10)12-14)8(13)11-6-4-9(6,2)3/h5-6,14H,4H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyYKSKVXHDXGMLRP-UHFFFAOYSA-N
XLogP0.28
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.28
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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Related Compounds

3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590
3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide
CID 76927375
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
CID 79988898
N-(2,2-dimethylcyclopropyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597343
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103968213
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
CID 107471991
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76979808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide (CID 76928487) is 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC1CC1(C)C)C(N)=NO.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is YKSKVXHDXGMLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5(7(10)12-14)8(13)11-6-4-9(6,2)3/h5-6,14H,4H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76928487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).