3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C9H21N3O2 — CID 61446225

IUPAC3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCN(CCO)CCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-2-3-5-12(7-8-13)6-4-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11)
InChIKeyLQWINFXHMNQOFK-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.22
Rot. Bonds8

About 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 61446225) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID61446225
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCN(CCO)CCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-2-3-5-12(7-8-13)6-4-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11)
InChIKeyLQWINFXHMNQOFK-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 61446225) is 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CCCCN(CCO)CCC(N)=NO.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LQWINFXHMNQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-2-3-5-12(7-8-13)6-4-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11).
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 61446225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).