5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide

C11H25N3O — CID 79387660

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(CC)CC(C)(C)O
InChIInChI=1S/C11H25N3O/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13/h15H,4-9H2,1-3H3,(H3,12,13)
InChIKeyOQJXIPPXJGFCPO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.19
Rot. Bonds8

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide (PubChem CID 79387660) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide
PubChem CID79387660
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(CC)CC(C)(C)O
InChIInChI=1S/C11H25N3O/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13/h15H,4-9H2,1-3H3,(H3,12,13)
InChIKeyOQJXIPPXJGFCPO-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide (CID 79387660) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide is [H]/N=C(\N)CCCCN(CC)CC(C)(C)O.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide?
The InChIKey is OQJXIPPXJGFCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-14(9-11(2,3)15)8-6-5-7-10(12)13/h15H,4-9H2,1-3H3,(H3,12,13).
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanimidamide is sourced from PubChem (CID 79387660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).