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

C10H21N3O2 — CID 82729244

IUPACN'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide
SMILESCC1OCCC1NCCCCC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)12-6-3-2-4-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyNWQDXOZLFMOIGH-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.67
Rot. Bonds6

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

N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide (PubChem CID 82729244) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide
PubChem CID82729244
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide
SMILESCC1OCCC1NCCCCC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)12-6-3-2-4-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13)
InChIKeyNWQDXOZLFMOIGH-UHFFFAOYSA-N
XLogP0.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.67
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-methyloxolan-3-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide (CID 82729244) is N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide is CC1OCCC1NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide?
The InChIKey is NWQDXOZLFMOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8-9(5-7-15-8)12-6-3-2-4-10(11)13-14/h8-9,12,14H,2-7H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide?
N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-methyloxolan-3-yl)amino]pentanimidamide is sourced from PubChem (CID 82729244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).