3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C8H19N3O3 — CID 61235605

IUPAC3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CCO)CCO)C(N)=NO
InChIInChI=1S/C8H19N3O3/c1-7(8(9)10-14)6-11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10)
InChIKeyQSJARMGZLGCGSW-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.34
Rot. Bonds7

About 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 61235605) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID61235605
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(CCO)CCO)C(N)=NO
InChIInChI=1S/C8H19N3O3/c1-7(8(9)10-14)6-11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10)
InChIKeyQSJARMGZLGCGSW-UHFFFAOYSA-N
XLogP-1.34
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369300
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide
CID 103369304
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369323
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369333
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 61235605) is 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(CCO)CCO)C(N)=NO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QSJARMGZLGCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-7(8(9)10-14)6-11(2-4-12)3-5-13/h7,12-14H,2-6H2,1H3,(H2,9,10).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 205.26 g/mol, XLogP of -1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 61235605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).