2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide

C9H19N3O — CID 104866253

IUPAC2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1(NC(C)C(N)=NO)CCC1
InChIInChI=1S/C9H19N3O/c1-3-9(5-4-6-9)11-7(2)8(10)12-13/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJFLIXFBCHHIDMT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds4

About 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide

2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104866253) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide
PubChem CID104866253
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide
SMILESCCC1(NC(C)C(N)=NO)CCC1
InChIInChI=1S/C9H19N3O/c1-3-9(5-4-6-9)11-7(2)8(10)12-13/h7,11,13H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJFLIXFBCHHIDMT-UHFFFAOYSA-N
XLogP1.04
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
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-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide (CID 104866253) is 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide is CCC1(NC(C)C(N)=NO)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JFLIXFBCHHIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-9(5-4-6-9)11-7(2)8(10)12-13/h7,11,13H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide?
2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104866253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).