N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide

C10H23N3O2 — CID 77055988

IUPACN'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
SMILESCOCC(NC(C)CC(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-7(2)9(6-15-4)12-8(3)5-10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyGVXAJFJGSBNXAC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.77
Rot. Bonds7

About N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide

N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide (PubChem CID 77055988) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
PubChem CID77055988
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
SMILESCOCC(NC(C)CC(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-7(2)9(6-15-4)12-8(3)5-10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyGVXAJFJGSBNXAC-UHFFFAOYSA-N
XLogP0.77
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
CID 77030452
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721836
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
N'-hydroxy-3-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865880
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]butanimidamide
CID 106161775
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide (CID 77055988) is N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide is COCC(NC(C)CC(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide?
The InChIKey is GVXAJFJGSBNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-7(2)9(6-15-4)12-8(3)5-10(11)13-14/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide?
N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide is sourced from PubChem (CID 77055988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).