2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H23N3O2 — CID 77071608

IUPAC2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC1CN(CC2(CC(N)=NO)CC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-2-10-8-15(5-6-17-10)9-12(3-4-12)7-11(13)14-16/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyRRXXCEKZTBAZRJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071608) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071608
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC1CN(CC2(CC(N)=NO)CC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-2-10-8-15(5-6-17-10)9-12(3-4-12)7-11(13)14-16/h10,16H,2-9H2,1H3,(H2,13,14)
InChIKeyRRXXCEKZTBAZRJ-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.01
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 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071608) is 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCC1CN(CC2(CC(N)=NO)CC2)CCO1.
What is the InChIKey of 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is RRXXCEKZTBAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-10-8-15(5-6-17-10)9-12(3-4-12)7-11(13)14-16/h10,16H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylmorpholin-4-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).