2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide

C9H19N3O — CID 77067847

IUPAC2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-9(10)11-13)6-8-4-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyOIJVHCPAYATNHE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.85
Rot. Bonds5

About 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide

2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77067847) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
PubChem CID77067847
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)CC1CCC1
InChIInChI=1S/C9H19N3O/c1-2-12(7-9(10)11-13)6-8-4-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyOIJVHCPAYATNHE-UHFFFAOYSA-N
XLogP0.85
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide (CID 77067847) is 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is OIJVHCPAYATNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-12(7-9(10)11-13)6-8-4-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide?
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77067847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).