N'-hydroxy-4-octan-2-yloxybutanimidamide

C12H26N2O2 — CID 43128354

IUPACN'-hydroxy-4-octan-2-yloxybutanimidamide
SMILESCCCCCCC(C)OCCC/C(N)=N/O
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-8-11(2)16-10-7-9-12(13)14-15/h11,15H,3-10H2,1-2H3,(H2,13,14)
InChIKeyCOORUAVPNCYQHE-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.89
Rot. Bonds10

About N'-hydroxy-4-octan-2-yloxybutanimidamide

N'-hydroxy-4-octan-2-yloxybutanimidamide (PubChem CID 43128354) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-hydroxy-4-octan-2-yloxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-octan-2-yloxybutanimidamide
PubChem CID43128354
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-hydroxy-4-octan-2-yloxybutanimidamide
SMILESCCCCCCC(C)OCCC/C(N)=N/O
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-8-11(2)16-10-7-9-12(13)14-15/h11,15H,3-10H2,1-2H3,(H2,13,14)
InChIKeyCOORUAVPNCYQHE-UHFFFAOYSA-N
XLogP2.89
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
CID 106711793
1-hexan-2-yloxydecane
CID 57029724
2-octan-2-yloxyethanamine
CID 43127313
6-octan-2-yloxyhexan-2-one
CID 43793687
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-octan-2-yloxybutanimidamide?
The IUPAC name of N'-hydroxy-4-octan-2-yloxybutanimidamide (CID 43128354) is N'-hydroxy-4-octan-2-yloxybutanimidamide.
What is the SMILES notation for N'-hydroxy-4-octan-2-yloxybutanimidamide?
The canonical SMILES for N'-hydroxy-4-octan-2-yloxybutanimidamide is CCCCCCC(C)OCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-octan-2-yloxybutanimidamide?
The InChIKey is COORUAVPNCYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-5-6-8-11(2)16-10-7-9-12(13)14-15/h11,15H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-octan-2-yloxybutanimidamide?
N'-hydroxy-4-octan-2-yloxybutanimidamide has a molecular weight of 230.35 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-octan-2-yloxybutanimidamide is sourced from PubChem (CID 43128354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).