N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide

C11H21N3O2 — CID 77071538

IUPACN'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1CN(CC2(CC(N)=NO)CC2)CCO1
InChIInChI=1S/C11H21N3O2/c1-9-7-14(4-5-16-9)8-11(2-3-11)6-10(12)13-15/h9,15H,2-8H2,1H3,(H2,12,13)
InChIKeyHZTSPJSUBAELCD-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.62
Rot. Bonds4

About N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071538) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID77071538
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1CN(CC2(CC(N)=NO)CC2)CCO1
InChIInChI=1S/C11H21N3O2/c1-9-7-14(4-5-16-9)8-11(2-3-11)6-10(12)13-15/h9,15H,2-8H2,1H3,(H2,12,13)
InChIKeyHZTSPJSUBAELCD-UHFFFAOYSA-N
XLogP0.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
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-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide (CID 77071538) is N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide is CC1CN(CC2(CC(N)=NO)CC2)CCO1.
What is the InChIKey of N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is HZTSPJSUBAELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-7-14(4-5-16-9)8-11(2-3-11)6-10(12)13-15/h9,15H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(2-methylmorpholin-4-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).