N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide

C10H23N3O2 — CID 106115541

IUPACN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide
SMILESCCCC(CCO)CNCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-2-3-9(5-7-14)8-12-6-4-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyWNUHESXFHGWEEC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.51
Rot. Bonds9

About N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide

N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide (PubChem CID 106115541) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide
PubChem CID106115541
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide
SMILESCCCC(CCO)CNCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-2-3-9(5-7-14)8-12-6-4-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyWNUHESXFHGWEEC-UHFFFAOYSA-N
XLogP0.51
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.51
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

2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370000
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanimidamide
CID 106115548
3,3,3-trifluoro-N'-hydroxy-2-[(6-hydroxyhexylamino)methyl]propanimidamide
CID 107853250
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]propanimidamide
CID 77027612
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanimidamide
CID 77027613
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]butanimidamide
CID 77027818
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]pentanimidamide
CID 77028240
N'-hydroxy-3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanimidamide
CID 77028873
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]propanimidamide
CID 77031962
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanimidamide
CID 77031963
N'-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]butanimidamide
CID 77031964
N'-hydroxy-5-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanimidamide
CID 77032106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide (CID 106115541) is N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide is CCCC(CCO)CNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide?
The InChIKey is WNUHESXFHGWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-3-9(5-7-14)8-12-6-4-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide?
N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-hydroxyethyl)pentylamino]propanimidamide is sourced from PubChem (CID 106115541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).