N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide

C10H23N3O2 — CID 109374606

IUPACN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
SMILESCCCN(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C10H23N3O2/c1-2-6-13(8-9-14)7-4-3-5-10(11)12-15/h14-15H,2-9H2,1H3,(H2,11,12)
InChIKeyFCQFLXRZTLBMEF-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.61
Rot. Bonds9

About N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide (PubChem CID 109374606) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
PubChem CID109374606
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
SMILESCCCN(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C10H23N3O2/c1-2-6-13(8-9-14)7-4-3-5-10(11)12-15/h14-15H,2-9H2,1H3,(H2,11,12)
InChIKeyFCQFLXRZTLBMEF-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.61
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

5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 109374620
N'-hydroxy-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480165
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide (CID 109374606) is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide is CCCN(CCO)CCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide?
The InChIKey is FCQFLXRZTLBMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-6-13(8-9-14)7-4-3-5-10(11)12-15/h14-15H,2-9H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide is sourced from PubChem (CID 109374606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).