N,2-diethyl-2-hydroxy-N'-methylbutanimidamide

C9H20N2O — CID 118519212

IUPACN,2-diethyl-2-hydroxy-N'-methylbutanimidamide
SMILESCCN/C(=N\C)C(O)(CC)CC
InChIInChI=1S/C9H20N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h12H,5-7H2,1-4H3,(H,10,11)
InChIKeyKWFQFFSRSFBPSZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.18
Rot. Bonds4

About N,2-diethyl-2-hydroxy-N'-methylbutanimidamide

N,2-diethyl-2-hydroxy-N'-methylbutanimidamide (PubChem CID 118519212) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,2-diethyl-2-hydroxy-N'-methylbutanimidamide.

Molecular Properties

Compound NameN,2-diethyl-2-hydroxy-N'-methylbutanimidamide
PubChem CID118519212
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,2-diethyl-2-hydroxy-N'-methylbutanimidamide
SMILESCCN/C(=N\C)C(O)(CC)CC
InChIInChI=1S/C9H20N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h12H,5-7H2,1-4H3,(H,10,11)
InChIKeyKWFQFFSRSFBPSZ-UHFFFAOYSA-N
XLogP1.18
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.18
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-hydroxy-N'-methylbutanimidamide?
The IUPAC name of N,2-diethyl-2-hydroxy-N'-methylbutanimidamide (CID 118519212) is N,2-diethyl-2-hydroxy-N'-methylbutanimidamide.
What is the SMILES notation for N,2-diethyl-2-hydroxy-N'-methylbutanimidamide?
The canonical SMILES for N,2-diethyl-2-hydroxy-N'-methylbutanimidamide is CCN/C(=N\C)C(O)(CC)CC.
What is the InChIKey of N,2-diethyl-2-hydroxy-N'-methylbutanimidamide?
The InChIKey is KWFQFFSRSFBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h12H,5-7H2,1-4H3,(H,10,11).
What are the key properties of N,2-diethyl-2-hydroxy-N'-methylbutanimidamide?
N,2-diethyl-2-hydroxy-N'-methylbutanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.18, 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-hydroxy-N'-methylbutanimidamide is sourced from PubChem (CID 118519212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).