N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide

C12H27N3O2 — CID 54994610

IUPACN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
SMILESCCC(CC)N(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C12H27N3O2/c1-3-11(4-2)15(9-10-16)8-6-5-7-12(13)14-17/h11,16-17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyRJRXJUUJHWSIQK-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.39
Rot. Bonds10

About N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide (PubChem CID 54994610) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
PubChem CID54994610
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
SMILESCCC(CC)N(CCO)CCCC/C(N)=N/O
InChIInChI=1S/C12H27N3O2/c1-3-11(4-2)15(9-10-16)8-6-5-7-12(13)14-17/h11,16-17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyRJRXJUUJHWSIQK-UHFFFAOYSA-N
XLogP1.39
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide (CID 54994610) is N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide is CCC(CC)N(CCO)CCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide?
The InChIKey is RJRXJUUJHWSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-3-11(4-2)15(9-10-16)8-6-5-7-12(13)14-17/h11,16-17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.39, 10 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(pentan-3-yl)amino]pentanimidamide is sourced from PubChem (CID 54994610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).