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

C11H25N3O2 — CID 61446321

IUPAC3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCCCN(CCO)C(CC)CC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-5-6-14(7-8-15)10(4-2)9-11(12)13-16/h10,15-16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyGDMYOEXBSKXVCK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.00
Rot. Bonds9

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

3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 61446321) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
PubChem CID61446321
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
SMILESCCCCN(CCO)C(CC)CC(N)=NO
InChIInChI=1S/C11H25N3O2/c1-3-5-6-14(7-8-15)10(4-2)9-11(12)13-16/h10,15-16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyGDMYOEXBSKXVCK-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide (CID 61446321) is 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide is CCCCN(CCO)C(CC)CC(N)=NO.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is GDMYOEXBSKXVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-3-5-6-14(7-8-15)10(4-2)9-11(12)13-16/h10,15-16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide?
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.00, 9 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'-hydroxypentanimidamide is sourced from PubChem (CID 61446321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).