N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide

C14H21N3O2 — CID 77013636

IUPACN'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
SMILESNC(CCN(c1ccccc1)C1CCOCC1)=NO
InChIInChI=1S/C14H21N3O2/c15-14(16-18)6-9-17(12-4-2-1-3-5-12)13-7-10-19-11-8-13/h1-5,13,18H,6-11H2,(H2,15,16)
InChIKeyXFPZAMKQXZROIO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.81
Rot. Bonds5

About N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide

N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide (PubChem CID 77013636) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
PubChem CID77013636
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide
SMILESNC(CCN(c1ccccc1)C1CCOCC1)=NO
InChIInChI=1S/C14H21N3O2/c15-14(16-18)6-9-17(12-4-2-1-3-5-12)13-7-10-19-11-8-13/h1-5,13,18H,6-11H2,(H2,15,16)
InChIKeyXFPZAMKQXZROIO-UHFFFAOYSA-N
XLogP1.81
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-[N-(oxan-4-yl)anilino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide (CID 77013636) is N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide is NC(CCN(c1ccccc1)C1CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide?
The InChIKey is XFPZAMKQXZROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-18)6-9-17(12-4-2-1-3-5-12)13-7-10-19-11-8-13/h1-5,13,18H,6-11H2,(H2,15,16).
What are the key properties of N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide?
N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[N-(oxan-4-yl)anilino]propanimidamide is sourced from PubChem (CID 77013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).