N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide

C9H21N3O2 — CID 107200082

IUPACN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide
SMILESCN(CCCCCO)CCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-12(6-3-2-4-8-13)7-5-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11)
InChIKeyABOLUXAQDDDGNC-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.22
Rot. Bonds8

About N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide

N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide (PubChem CID 107200082) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide
PubChem CID107200082
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide
SMILESCN(CCCCCO)CCC(N)=NO
InChIInChI=1S/C9H21N3O2/c1-12(6-3-2-4-8-13)7-5-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11)
InChIKeyABOLUXAQDDDGNC-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]propanimidamide
CID 107200090
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanimidamide
CID 61407717
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407719
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 61407766
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61524324
N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]pentanimidamide
CID 61524403
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61524404
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 61524781
N'-hydroxy-3-[3-hydroxypropyl(propan-2-yl)amino]pentanimidamide
CID 76911112

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide (CID 107200082) is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide is CN(CCCCCO)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide?
The InChIKey is ABOLUXAQDDDGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-12(6-3-2-4-8-13)7-5-9(10)11-14/h13-14H,2-8H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide?
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide has a molecular weight of 203.29 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]propanimidamide is sourced from PubChem (CID 107200082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).