2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide

C10H23N5O2 — CID 72653227

IUPAC2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide
SMILESCCCCCCN(CC(N)=NO)CC(N)=NO
InChIInChI=1S/C10H23N5O2/c1-2-3-4-5-6-15(7-9(11)13-16)8-10(12)14-17/h16-17H,2-8H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyXONZSRUDOGPTSI-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.36
Rot. Bonds9

About 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide

2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide (PubChem CID 72653227) has the molecular formula C10H23N5O2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide
PubChem CID72653227
Molecular FormulaC10H23N5O2
Molecular Weight245.33 g/mol
Exact Mass245.19
IUPAC Name2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide
SMILESCCCCCCN(CC(N)=NO)CC(N)=NO
InChIInChI=1S/C10H23N5O2/c1-2-3-4-5-6-15(7-9(11)13-16)8-10(12)14-17/h16-17H,2-8H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyXONZSRUDOGPTSI-UHFFFAOYSA-N
XLogP0.36
TPSA120.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide (CID 72653227) is 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide is CCCCCCN(CC(N)=NO)CC(N)=NO.
What is the InChIKey of 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide?
The InChIKey is XONZSRUDOGPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O2/c1-2-3-4-5-6-15(7-9(11)13-16)8-10(12)14-17/h16-17H,2-8H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide?
2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide has a molecular weight of 245.33 g/mol, XLogP of 0.36, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-hydroxyiminoethyl)-hexylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 72653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).