N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide

C9H21N3O2 — CID 107317932

IUPACN'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
SMILESNC(CCCNCCCCCO)=NO
InChIInChI=1S/C9H21N3O2/c10-9(12-14)5-4-7-11-6-2-1-3-8-13/h11,13-14H,1-8H2,(H2,10,12)
InChIKeyKWPMBLPFNKZQDN-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.27
Rot. Bonds9

About N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide

N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide (PubChem CID 107317932) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
PubChem CID107317932
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-4-(5-hydroxypentylamino)butanimidamide
SMILESNC(CCCNCCCCCO)=NO
InChIInChI=1S/C9H21N3O2/c10-9(12-14)5-4-7-11-6-2-1-3-8-13/h11,13-14H,1-8H2,(H2,10,12)
InChIKeyKWPMBLPFNKZQDN-UHFFFAOYSA-N
XLogP0.27
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.27
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-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
N'-hydroxy-4-(3-methoxypropylamino)butanimidamide
CID 77027942
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
3-(5-hydroxypentylamino)propanamide
CID 62227149
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide (CID 107317932) is N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide is NC(CCCNCCCCCO)=NO.
What is the InChIKey of N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide?
The InChIKey is KWPMBLPFNKZQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c10-9(12-14)5-4-7-11-6-2-1-3-8-13/h11,13-14H,1-8H2,(H2,10,12).
What are the key properties of N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide?
N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.27, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(5-hydroxypentylamino)butanimidamide is sourced from PubChem (CID 107317932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).