N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide

C12H27N3O2 — CID 77031173

IUPACN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCCOCCC(C)C
InChIInChI=1S/C12H27N3O2/c1-4-11(9-12(13)15-16)14-6-8-17-7-5-10(2)3/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyFTARIVBLDGOWPL-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.55
Rot. Bonds10

About N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide

N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide (PubChem CID 77031173) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide
PubChem CID77031173
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCCOCCC(C)C
InChIInChI=1S/C12H27N3O2/c1-4-11(9-12(13)15-16)14-6-8-17-7-5-10(2)3/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyFTARIVBLDGOWPL-UHFFFAOYSA-N
XLogP1.55
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
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 N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide (CID 77031173) is N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide is CCC(CC(N)=NO)NCCOCCC(C)C.
What is the InChIKey of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
The InChIKey is FTARIVBLDGOWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-11(9-12(13)15-16)14-6-8-17-7-5-10(2)3/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide?
N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.55, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]pentanimidamide is sourced from PubChem (CID 77031173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).