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

C9H19N3O — CID 103166304

IUPACN-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide
SMILESCCOC1CC(C/C(=N/C)NN)C1
InChIInChI=1S/C9H19N3O/c1-3-13-8-4-7(5-8)6-9(11-2)12-10/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyFZUPJBOHAREUOH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.68
Rot. Bonds4

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

N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide (PubChem CID 103166304) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide
PubChem CID103166304
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide
SMILESCCOC1CC(C/C(=N/C)NN)C1
InChIInChI=1S/C9H19N3O/c1-3-13-8-4-7(5-8)6-9(11-2)12-10/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyFZUPJBOHAREUOH-UHFFFAOYSA-N
XLogP0.68
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide?
The IUPAC name of N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide (CID 103166304) is N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide.
What is the SMILES notation for N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide?
The canonical SMILES for N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide is CCOC1CC(C/C(=N/C)NN)C1.
What is the InChIKey of N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide?
The InChIKey is FZUPJBOHAREUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-13-8-4-7(5-8)6-9(11-2)12-10/h7-8H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide?
N-amino-2-(3-ethoxycyclobutyl)-N'-methylethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.68, 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)-N'-methylethanimidamide is sourced from PubChem (CID 103166304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).