2-amino-N'-hydroxy-3,3-dimethylbutanimidamide

C6H15N3O — CID 142275479

IUPAC2-amino-N'-hydroxy-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C(N)/C(N)=N/O
InChIInChI=1S/C6H15N3O/c1-6(2,3)4(7)5(8)9-10/h4,10H,7H2,1-3H3,(H2,8,9)
InChIKeyVKQZPNLZPFDIRB-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.11
Rot. Bonds1

About 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide

2-amino-N'-hydroxy-3,3-dimethylbutanimidamide (PubChem CID 142275479) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-3,3-dimethylbutanimidamide
PubChem CID142275479
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-amino-N'-hydroxy-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C(N)/C(N)=N/O
InChIInChI=1S/C6H15N3O/c1-6(2,3)4(7)5(8)9-10/h4,10H,7H2,1-3H3,(H2,8,9)
InChIKeyVKQZPNLZPFDIRB-UHFFFAOYSA-N
XLogP0.11
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.11
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'}

Analyze 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide 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

2-Amino-3,3-dimethylbutanimidamide
CID 88908289
2-amino-N'-hydroxybutanimidamide
CID 14024494
2-amino-N'-hydroxybutanimidamide;hydrochloride
CID 14024495
2-amino-N'-hydroxy-3-methylbutanimidamide
CID 64981100
2-amino-N'-hydroxypentanimidamide
CID 64981652
CID 72726377
CID 72726377
CID 77052244
CID 77052244
CID 77052252
CID 77052252
4-amino-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062122
4-amino-N-hydroxy-3,3-dimethylbutanimidamide
CID 133683363
2-amino-N'-hydroxy-4-methylpentanimidamide
CID 165918371

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide?
The IUPAC name of 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide (CID 142275479) is 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide.
What is the SMILES notation for 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide?
The canonical SMILES for 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide is CC(C)(C)C(N)/C(N)=N/O.
What is the InChIKey of 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide?
The InChIKey is VKQZPNLZPFDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-6(2,3)4(7)5(8)9-10/h4,10H,7H2,1-3H3,(H2,8,9).
What are the key properties of 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide?
2-amino-N'-hydroxy-3,3-dimethylbutanimidamide has a molecular weight of 145.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-3,3-dimethylbutanimidamide is sourced from PubChem (CID 142275479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).