N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide

C8H19N3O2 — CID 60961041

IUPACN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CCO
InChIInChI=1S/C8H19N3O2/c1-3-7(6-8(9)10-13)11(2)4-5-12/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyVSEGLSRDJWNACJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds6

About N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide

N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide (PubChem CID 60961041) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
PubChem CID60961041
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CCO
InChIInChI=1S/C8H19N3O2/c1-3-7(6-8(9)10-13)11(2)4-5-12/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyVSEGLSRDJWNACJ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480137
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 107480153
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480164
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480178
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480259
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480287
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(3-methylmorpholin-4-yl)pentanimidamide
CID 43542175
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide (CID 60961041) is N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide is CCC(C/C(N)=N/O)N(C)CCO.
What is the InChIKey of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
The InChIKey is VSEGLSRDJWNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-7(6-8(9)10-13)11(2)4-5-12/h7,12-13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide?
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide is sourced from PubChem (CID 60961041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).