N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide

C6H15N3O2 — CID 62334817

IUPACN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide
SMILESCC(O)CN(C)C/C(N)=N/O
InChIInChI=1S/C6H15N3O2/c1-5(10)3-9(2)4-6(7)8-11/h5,10-11H,3-4H2,1-2H3,(H2,7,8)
InChIKeyAXCDTWBNNVYXLP-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.95
Rot. Bonds4

About N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide

N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide (PubChem CID 62334817) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide
PubChem CID62334817
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC NameN'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide
SMILESCC(O)CN(C)C/C(N)=N/O
InChIInChI=1S/C6H15N3O2/c1-5(10)3-9(2)4-6(7)8-11/h5,10-11H,3-4H2,1-2H3,(H2,7,8)
InChIKeyAXCDTWBNNVYXLP-UHFFFAOYSA-N
XLogP-0.95
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.95
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

2-[2-Hydroxyethyl(propyl)amino]ethanimidamide
CID 61424990
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
CID 60702231
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]propanimidamide
CID 60960768
N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60960897
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 60979838
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 60979839
2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 61235232
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]ethanimidamide
CID 61424574
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 61446224
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]propanimidamide
CID 61691662
2-[2-Hydroxypropyl(methyl)amino]ethanimidamide
CID 62334102
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)ethanimidamide
CID 62941516

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide (CID 62334817) is N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide is CC(O)CN(C)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
The InChIKey is AXCDTWBNNVYXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c1-5(10)3-9(2)4-6(7)8-11/h5,10-11H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide?
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide has a molecular weight of 161.20 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]ethanimidamide is sourced from PubChem (CID 62334817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).