2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide

C9H18N2O — CID 118519246

IUPAC2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide
SMILESC/C=N/C(=N\C)C(O)(CC)CC
InChIInChI=1S/C9H18N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h7,12H,5-6H2,1-4H3/b10-8-,11-7+
InChIKeyGWQAEMFTNQWTAM-FIUNUOGESA-N
MW170.26 g/mol
LogP1.66
Rot. Bonds3

About 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide

2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide (PubChem CID 118519246) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide.

Molecular Properties

Compound Name2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide
PubChem CID118519246
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide
SMILESC/C=N/C(=N\C)C(O)(CC)CC
InChIInChI=1S/C9H18N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h7,12H,5-6H2,1-4H3/b10-8-,11-7+
InChIKeyGWQAEMFTNQWTAM-FIUNUOGESA-N
XLogP1.66
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.66
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'}

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Related Compounds

3-ethyl-2-methyliminopentan-3-ol;thulium
CID 153491886
N-ethylidene-N'-methylethanimidamide
CID 58796711
N-hept-2-en-3-ylethanimine
CID 23597524
3-ethyl-2-methoxypent-1-en-3-ol
CID 89149604
3-methyl-2-methyliminopentan-3-ol;neodymium
CID 153491898
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
CID 143344106
3-methyl-2-methyliminopentan-3-ol;scandium
CID 153491697
3-ethyl-2-ethyliminopentan-3-ol;europium
CID 153491784
(Z)-2-(ethylideneamino)hex-1-en-1-amine
CID 90227550
acetaldehyde;3-methylpentan-3-ol
CID 174322693
3-ethylhex-4-en-3-ol
CID 54219311

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide?
The IUPAC name of 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide (CID 118519246) is 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide.
What is the SMILES notation for 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide?
The canonical SMILES for 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide is C/C=N/C(=N\C)C(O)(CC)CC.
What is the InChIKey of 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide?
The InChIKey is GWQAEMFTNQWTAM-FIUNUOGESA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-9(12,6-2)8(10-4)11-7-3/h7,12H,5-6H2,1-4H3/b10-8-,11-7+.
What are the key properties of 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide?
2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-ethylidene-2-hydroxy-N'-methylbutanimidamide is sourced from PubChem (CID 118519246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).