2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide

C11H25N3O2 — CID 76927576

IUPAC2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCOCCN(CCC)CC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-5-8-16-9-7-14(6-4-2)10-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13)
InChIKeyZAYIWUXGNMEPML-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.26
Rot. Bonds10

About 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide

2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76927576) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID76927576
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCOCCN(CCC)CC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-5-8-16-9-7-14(6-4-2)10-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13)
InChIKeyZAYIWUXGNMEPML-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide (CID 76927576) is 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide is CCCCOCCN(CCC)CC(N)=NO.
What is the InChIKey of 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is ZAYIWUXGNMEPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-5-8-16-9-7-14(6-4-2)10-11(12)13-15/h15H,3-10H2,1-2H3,(H2,12,13).
What are the key properties of 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76927576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).