N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide

C9H21N3O2 — CID 106161760

IUPACN'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
SMILESCC(CO)CCCNC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-7(6-13)4-3-5-11-8(2)9(10)12-14/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJPTSWDMYBJDJJY-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.12
Rot. Bonds7

About N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide

N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide (PubChem CID 106161760) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
PubChem CID106161760
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
SMILESCC(CO)CCCNC(C)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-7(6-13)4-3-5-11-8(2)9(10)12-14/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12)
InChIKeyJPTSWDMYBJDJJY-UHFFFAOYSA-N
XLogP0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.12
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
N'-hydroxy-2-(4-hydroxybutylamino)propanimidamide
CID 106842319
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
2-(3-cyclopropylpropylamino)-N'-hydroxypropanimidamide
CID 104876523
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
CID 77029016
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
2-(2-cyclopropylethylamino)-N'-hydroxypropanimidamide
CID 77072344
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide (CID 106161760) is N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide is CC(CO)CCCNC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide?
The InChIKey is JPTSWDMYBJDJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-7(6-13)4-3-5-11-8(2)9(10)12-14/h7-8,11,13-14H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide?
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide is sourced from PubChem (CID 106161760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).