N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide

C8H17N3O — CID 103166323

IUPACN'-amino-2-(3-ethoxycyclobutyl)ethanimidamide
SMILESCCOC1CC(CC(N)=NN)C1
InChIInChI=1S/C8H17N3O/c1-2-12-7-3-6(4-7)5-8(9)11-10/h6-7H,2-5,10H2,1H3,(H2,9,11)
InChIKeyIABYKHQMCQZYEL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.42
Rot. Bonds4

About N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide

N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide (PubChem CID 103166323) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(3-ethoxycyclobutyl)ethanimidamide
PubChem CID103166323
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-amino-2-(3-ethoxycyclobutyl)ethanimidamide
SMILESCCOC1CC(CC(N)=NN)C1
InChIInChI=1S/C8H17N3O/c1-2-12-7-3-6(4-7)5-8(9)11-10/h6-7H,2-5,10H2,1H3,(H2,9,11)
InChIKeyIABYKHQMCQZYEL-UHFFFAOYSA-N
XLogP0.42
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-Methylbutan-2-yloxy)pentanimidamide
CID 80392648
N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide
CID 103166304
5-(2-Cyclobutylethoxy)pentanimidamide
CID 106202150

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide?
The IUPAC name of N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide (CID 103166323) is N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide.
What is the SMILES notation for N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide?
The canonical SMILES for N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide is CCOC1CC(CC(N)=NN)C1.
What is the InChIKey of N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide?
The InChIKey is IABYKHQMCQZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-12-7-3-6(4-7)5-8(9)11-10/h6-7H,2-5,10H2,1H3,(H2,9,11).
What are the key properties of N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide?
N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide is sourced from PubChem (CID 103166323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).