N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide

C11H25N3O — CID 77014208

IUPACN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)C(C)(C)CC
InChIInChI=1S/C11H25N3O/c1-6-9(8-10(12)13-15)14(5)11(3,4)7-2/h9,15H,6-8H2,1-5H3,(H2,12,13)
InChIKeyPOPCOBBRFLTCDE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.02
Rot. Bonds6

About N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide

N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide (PubChem CID 77014208) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
PubChem CID77014208
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)C(C)(C)CC
InChIInChI=1S/C11H25N3O/c1-6-9(8-10(12)13-15)14(5)11(3,4)7-2/h9,15H,6-8H2,1-5H3,(H2,12,13)
InChIKeyPOPCOBBRFLTCDE-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide (CID 77014208) is N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide is CCC(CC(N)=NO)N(C)C(C)(C)CC.
What is the InChIKey of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The InChIKey is POPCOBBRFLTCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-9(8-10(12)13-15)14(5)11(3,4)7-2/h9,15H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide has a molecular weight of 215.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 77014208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).