N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide

C9H19N3O2 — CID 77071373

IUPACN'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCN(CCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C9H19N3O2/c1-12(4-5-13)7-9(2-3-9)6-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyXHZHQTSCXTZBEP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.17
Rot. Bonds6

About N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071373) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071373
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCN(CCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C9H19N3O2/c1-12(4-5-13)7-9(2-3-9)6-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyXHZHQTSCXTZBEP-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (CID 77071373) is N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is CN(CCO)CC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is XHZHQTSCXTZBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(4-5-13)7-9(2-3-9)6-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 201.27 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-2-[1-[[2-hydroxyethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).