N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide

C9H21N3O2 — CID 107317925

IUPACN'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
SMILESCCC(NCCCCCO)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-2-8(9(10)12-14)11-6-4-3-5-7-13/h8,11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyZLYUUPVUKTZDHA-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.26
Rot. Bonds8

About N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide

N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide (PubChem CID 107317925) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
PubChem CID107317925
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
SMILESCCC(NCCCCCO)C(N)=NO
InChIInChI=1S/C9H21N3O2/c1-2-8(9(10)12-14)11-6-4-3-5-7-13/h8,11,13-14H,2-7H2,1H3,(H2,10,12)
InChIKeyZLYUUPVUKTZDHA-UHFFFAOYSA-N
XLogP0.26
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.26
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-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
CID 77028984
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
3-[(1-amino-1-hydroxyiminobutan-2-yl)amino]-N-propylpropanamide
CID 77032208
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide (CID 107317925) is N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide is CCC(NCCCCCO)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide?
The InChIKey is ZLYUUPVUKTZDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-2-8(9(10)12-14)11-6-4-3-5-7-13/h8,11,13-14H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide?
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide is sourced from PubChem (CID 107317925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).