2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide

C8H20N4O — CID 76929176

IUPAC2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CCN(C)C)CC(N)=NO
InChIInChI=1S/C8H20N4O/c1-4-12(6-5-11(2)3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10)
InChIKeyOVICOGONBLUHAB-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.38
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide

2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide (PubChem CID 76929176) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
PubChem CID76929176
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide
SMILESCCN(CCN(C)C)CC(N)=NO
InChIInChI=1S/C8H20N4O/c1-4-12(6-5-11(2)3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10)
InChIKeyOVICOGONBLUHAB-UHFFFAOYSA-N
XLogP-0.38
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide (CID 76929176) is 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide is CCN(CCN(C)C)CC(N)=NO.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide?
The InChIKey is OVICOGONBLUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-4-12(6-5-11(2)3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10).
What are the key properties of 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide?
2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide has a molecular weight of 188.27 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-ethylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).