2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide

C8H19N3O2 — CID 79378301

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(C)(C)O
InChIInChI=1S/C8H19N3O2/c1-4-11(5-7(9)10-13)6-8(2,3)12/h12-13H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOQZOFBFPNCOAAV-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide (PubChem CID 79378301) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide
PubChem CID79378301
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC(C)(C)O
InChIInChI=1S/C8H19N3O2/c1-4-11(5-7(9)10-13)6-8(2,3)12/h12-13H,4-6H2,1-3H3,(H2,9,10)
InChIKeyOQZOFBFPNCOAAV-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide
CID 61424574
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 61446224
N'-hydroxy-5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77032944
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
CID 77032945
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
CID 77032952
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 77033063
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide
CID 77033069
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
CID 77033070
N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
CID 77033071
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)amino]butanimidamide
CID 77056277
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)amino]ethanimidamide
CID 77056286
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 77056297

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide (CID 79378301) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is OQZOFBFPNCOAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-4-11(5-7(9)10-13)6-8(2,3)12/h12-13H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 79378301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).