N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide

C8H19N3O2 — CID 77028808

IUPACN'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
SMILESNC(CCCCNCCCO)=NO
InChIInChI=1S/C8H19N3O2/c9-8(11-13)4-1-2-5-10-6-3-7-12/h10,12-13H,1-7H2,(H2,9,11)
InChIKeyHVKPMHLLOVFLJE-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.12
Rot. Bonds8

About N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide

N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide (PubChem CID 77028808) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
PubChem CID77028808
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC NameN'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
SMILESNC(CCCCNCCCO)=NO
InChIInChI=1S/C8H19N3O2/c9-8(11-13)4-1-2-5-10-6-3-7-12/h10,12-13H,1-7H2,(H2,9,11)
InChIKeyHVKPMHLLOVFLJE-UHFFFAOYSA-N
XLogP-0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.12
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-4-(5-hydroxypentylamino)butanimidamide
CID 107317932
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
2-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethoxy]acetamide
CID 106237637
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide (CID 77028808) is N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide is NC(CCCCNCCCO)=NO.
What is the InChIKey of N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide?
The InChIKey is HVKPMHLLOVFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-8(11-13)4-1-2-5-10-6-3-7-12/h10,12-13H,1-7H2,(H2,9,11).
What are the key properties of N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide?
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide is sourced from PubChem (CID 77028808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).