N',2-diethyl-2-hydroxybutanimidamide

C8H18N2O — CID 129095204

IUPACN',2-diethyl-2-hydroxybutanimidamide
SMILESCC/N=C(\N)C(O)(CC)CC
InChIInChI=1S/C8H18N2O/c1-4-8(11,5-2)7(9)10-6-3/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyJJEZERHGQQEADN-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.91
Rot. Bonds4

About N',2-diethyl-2-hydroxybutanimidamide

N',2-diethyl-2-hydroxybutanimidamide (PubChem CID 129095204) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N',2-diethyl-2-hydroxybutanimidamide.

Molecular Properties

Compound NameN',2-diethyl-2-hydroxybutanimidamide
PubChem CID129095204
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN',2-diethyl-2-hydroxybutanimidamide
SMILESCC/N=C(\N)C(O)(CC)CC
InChIInChI=1S/C8H18N2O/c1-4-8(11,5-2)7(9)10-6-3/h11H,4-6H2,1-3H3,(H2,9,10)
InChIKeyJJEZERHGQQEADN-UHFFFAOYSA-N
XLogP0.91
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of N',2-diethyl-2-hydroxybutanimidamide?
The IUPAC name of N',2-diethyl-2-hydroxybutanimidamide (CID 129095204) is N',2-diethyl-2-hydroxybutanimidamide.
What is the SMILES notation for N',2-diethyl-2-hydroxybutanimidamide?
The canonical SMILES for N',2-diethyl-2-hydroxybutanimidamide is CC/N=C(\N)C(O)(CC)CC.
What is the InChIKey of N',2-diethyl-2-hydroxybutanimidamide?
The InChIKey is JJEZERHGQQEADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-8(11,5-2)7(9)10-6-3/h11H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N',2-diethyl-2-hydroxybutanimidamide?
N',2-diethyl-2-hydroxybutanimidamide has a molecular weight of 158.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-2-hydroxybutanimidamide is sourced from PubChem (CID 129095204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).