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

C10H23N3O2 — CID 77030712

IUPACN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide
SMILESCC(C)CCOCCNCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(2)4-7-15-8-6-12-5-3-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyCJFDGBODZOVGHM-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.78
Rot. Bonds9

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

N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide (PubChem CID 77030712) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide
PubChem CID77030712
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide
SMILESCC(C)CCOCCNCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-9(2)4-7-15-8-6-12-5-3-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyCJFDGBODZOVGHM-UHFFFAOYSA-N
XLogP0.78
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.78
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]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide (CID 77030712) is N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide is CC(C)CCOCCNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide?
The InChIKey is CJFDGBODZOVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(2)4-7-15-8-6-12-5-3-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide?
N'-hydroxy-3-[2-(3-methylbutoxy)ethylamino]propanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.78, 9 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]propanimidamide is sourced from PubChem (CID 77030712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).