2-amino-2-cyclopropyl-N'-hydroxyethanimidamide

C5H11N3O — CID 77052245

IUPAC2-amino-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESNC(=NO)C(N)C1CC1
InChIInChI=1S/C5H11N3O/c6-4(3-1-2-3)5(7)8-9/h3-4,9H,1-2,6H2,(H2,7,8)
InChIKeyXPPVHDNDFCJYRX-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.53
Rot. Bonds2

About 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide

2-amino-2-cyclopropyl-N'-hydroxyethanimidamide (PubChem CID 77052245) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N'-hydroxyethanimidamide
PubChem CID77052245
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-amino-2-cyclopropyl-N'-hydroxyethanimidamide
SMILESNC(=NO)C(N)C1CC1
InChIInChI=1S/C5H11N3O/c6-4(3-1-2-3)5(7)8-9/h3-4,9H,1-2,6H2,(H2,7,8)
InChIKeyXPPVHDNDFCJYRX-UHFFFAOYSA-N
XLogP-0.53
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.53
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-amino-2-cyclopropyl-N'-hydroxyethanimidamide?
The IUPAC name of 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide (CID 77052245) is 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide is NC(=NO)C(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide?
The InChIKey is XPPVHDNDFCJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-4(3-1-2-3)5(7)8-9/h3-4,9H,1-2,6H2,(H2,7,8).
What are the key properties of 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide?
2-amino-2-cyclopropyl-N'-hydroxyethanimidamide has a molecular weight of 129.16 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N'-hydroxyethanimidamide is sourced from PubChem (CID 77052245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).