N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide

C8H18N2O — CID 129086729

IUPACN'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide
SMILESCC/N=C(/C(O)CC)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(11)8(9-6-2)10(3)4/h7,11H,5-6H2,1-4H3/b9-8-
InChIKeyJLDDCTIVNLSRHY-HJWRWDBZSA-N
MW158.24 g/mol
LogP0.74
Rot. Bonds3

About N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide

N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide (PubChem CID 129086729) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide
PubChem CID129086729
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide
SMILESCC/N=C(/C(O)CC)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(11)8(9-6-2)10(3)4/h7,11H,5-6H2,1-4H3/b9-8-
InChIKeyJLDDCTIVNLSRHY-HJWRWDBZSA-N
XLogP0.74
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethyl-2-hydroxy-N,N-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

pentan-3-ol
CID 11428
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
pentan-3-ol;dihydrochloride
CID 141116397
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
(E)-N'-ethyl-N,N,3,4-tetramethylpent-2-enimidamide
CID 170732072
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
2-ethyl-1,1-dimethylguanidine;sulfuric acid
CID 88796918
pent-1-ene-2,3-diol
CID 87754031
2-ethyl-1,1-dimethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111203341
methanol;1-phosphanylpropan-1-ol
CID 89485594
N,N-dimethylmethanamine;N-ethyl-N'-propylmethanediimine
CID 174940022
CID 11019709
CID 11019709

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide?
The IUPAC name of N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide (CID 129086729) is N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide.
What is the SMILES notation for N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide?
The canonical SMILES for N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide is CC/N=C(/C(O)CC)N(C)C.
What is the InChIKey of N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide?
The InChIKey is JLDDCTIVNLSRHY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-7(11)8(9-6-2)10(3)4/h7,11H,5-6H2,1-4H3/b9-8-.
What are the key properties of N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide?
N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide has a molecular weight of 158.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-hydroxy-N,N-dimethylbutanimidamide is sourced from PubChem (CID 129086729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).