N'-hydroxy-2-(octylamino)propanimidamide

C11H25N3O — CID 115568476

IUPACN'-hydroxy-2-(octylamino)propanimidamide
SMILESCCCCCCCCNC(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-3-4-5-6-7-8-9-13-10(2)11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyJIPJVHWWTLUEMZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.07
Rot. Bonds9

About N'-hydroxy-2-(octylamino)propanimidamide

N'-hydroxy-2-(octylamino)propanimidamide (PubChem CID 115568476) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-2-(octylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(octylamino)propanimidamide
PubChem CID115568476
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-2-(octylamino)propanimidamide
SMILESCCCCCCCCNC(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-3-4-5-6-7-8-9-13-10(2)11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14)
InChIKeyJIPJVHWWTLUEMZ-UHFFFAOYSA-N
XLogP2.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.07
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl 2-(heptylamino)propanoate
CID 61498650
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
CID 77069097
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(octylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(octylamino)propanimidamide (CID 115568476) is N'-hydroxy-2-(octylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(octylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(octylamino)propanimidamide is CCCCCCCCNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(octylamino)propanimidamide?
The InChIKey is JIPJVHWWTLUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-4-5-6-7-8-9-13-10(2)11(12)14-15/h10,13,15H,3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(octylamino)propanimidamide?
N'-hydroxy-2-(octylamino)propanimidamide has a molecular weight of 215.34 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(octylamino)propanimidamide is sourced from PubChem (CID 115568476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).