2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C11H23N3O2 — CID 77071377

IUPAC2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CCOC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-3-14(6-7-16-2)9-11(4-5-11)8-10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOFRGYVVZSGQDQX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds8

About 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071377) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071377
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCN(CCOC)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-3-14(6-7-16-2)9-11(4-5-11)8-10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyOFRGYVVZSGQDQX-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
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-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071377) is 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCN(CCOC)CC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is OFRGYVVZSGQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-14(6-7-16-2)9-11(4-5-11)8-10(12)13-15/h15H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(2-methoxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).