N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide

C10H21N3O2 — CID 104891514

IUPACN'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide
SMILESNC(CCN1CCCCCC1CO)=NO
InChIInChI=1S/C10H21N3O2/c11-10(12-15)5-7-13-6-3-1-2-4-9(13)8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyOZWUOISYULCCNE-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

About N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide (PubChem CID 104891514) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide
PubChem CID104891514
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide
SMILESNC(CCN1CCCCCC1CO)=NO
InChIInChI=1S/C10H21N3O2/c11-10(12-15)5-7-13-6-3-1-2-4-9(13)8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyOZWUOISYULCCNE-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370223
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370835
[(2S)-5-methoxyiminoazepan-2-yl]methanol
CID 172288388
ethane;[(6E)-6-methoxyiminoazepan-2-yl]methanol
CID 172288887
[(2S)-6-methoxyiminoazepan-2-yl]methanol
CID 172289075
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 24701879
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406593
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 61406595
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61406642
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406644
N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524532
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanimidamide
CID 76943946

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide (CID 104891514) is N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide is NC(CCN1CCCCCC1CO)=NO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide?
The InChIKey is OZWUOISYULCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(12-15)5-7-13-6-3-1-2-4-9(13)8-14/h9,14-15H,1-8H2,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(hydroxymethyl)azepan-1-yl]propanimidamide is sourced from PubChem (CID 104891514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).