N'-(3-hydroxy-3-methylbutyl)ethanimidamide

C7H16N2O — CID 130723765

IUPACN'-(3-hydroxy-3-methylbutyl)ethanimidamide
SMILESC/C(N)=N\CCC(C)(C)O
InChIInChI=1S/C7H16N2O/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyIQHZYBSXDFGEBY-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.52
Rot. Bonds3

About N'-(3-hydroxy-3-methylbutyl)ethanimidamide

N'-(3-hydroxy-3-methylbutyl)ethanimidamide (PubChem CID 130723765) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(3-hydroxy-3-methylbutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-3-methylbutyl)ethanimidamide
PubChem CID130723765
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(3-hydroxy-3-methylbutyl)ethanimidamide
SMILESC/C(N)=N\CCC(C)(C)O
InChIInChI=1S/C7H16N2O/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyIQHZYBSXDFGEBY-UHFFFAOYSA-N
XLogP0.52
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
CID 130723764
N'-(3,3-dimethylhexyl)ethanimidamide
CID 126538116
8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid
CID 57196663
ethane;N'-propylethanimidamide
CID 156797871
N'-(2,2-difluoro-3-oxobutyl)ethanimidamide
CID 123948626
N'-(2-ethoxy-2-methylpropyl)ethanimidamide
CID 114944274
N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
CID 130693138
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
N'-[2-(4-tert-butylpiperazin-1-yl)ethyl]ethanimidamide
CID 174196545
N'-(2-ethoxyethyl)ethanimidamide
CID 63173013
2-amino-5-methylhexane-2,5-diol
CID 175528069
N'-(2-propan-2-yloxyethyl)ethanimidamide
CID 104587577

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?
The IUPAC name of N'-(3-hydroxy-3-methylbutyl)ethanimidamide (CID 130723765) is N'-(3-hydroxy-3-methylbutyl)ethanimidamide.
What is the SMILES notation for N'-(3-hydroxy-3-methylbutyl)ethanimidamide?
The canonical SMILES for N'-(3-hydroxy-3-methylbutyl)ethanimidamide is C/C(N)=N\CCC(C)(C)O.
What is the InChIKey of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?
The InChIKey is IQHZYBSXDFGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-(3-hydroxy-3-methylbutyl)ethanimidamide?
N'-(3-hydroxy-3-methylbutyl)ethanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-3-methylbutyl)ethanimidamide is sourced from PubChem (CID 130723765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).