3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide

C9H19N3O2 — CID 61428710

IUPAC3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)CC(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(2)4-5-12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYSESFTTTZGJKLW-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.63
Rot. Bonds5

About 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide

3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide (PubChem CID 61428710) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide
PubChem CID61428710
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C)C(=O)CC(N)=NO
InChIInChI=1S/C9H19N3O2/c1-7(2)4-5-12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyYSESFTTTZGJKLW-UHFFFAOYSA-N
XLogP0.63
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-butyl-2-(N'-hydroxycarbamimidoyl)acetamide
CID 2453601
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
CID 54987980
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 63227868
2-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65530835
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65713008
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3,3,3-trifluoropropanamide
CID 76204783
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide
CID 76910840
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 76917326
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 76923563
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 76923607
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923608
N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76923609

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide (CID 61428710) is 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide is CC(C)CCN(C)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is YSESFTTTZGJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)4-5-12(3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide?
3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61428710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).