3-(azepan-1-yl)-N'-hydroxypentanimidamide

C11H23N3O — CID 43367759

IUPAC3-(azepan-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-2-10(9-11(12)13-15)14-7-5-3-4-6-8-14/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyFWAWYLQYRYBSDL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.78
Rot. Bonds4

About 3-(azepan-1-yl)-N'-hydroxypentanimidamide

3-(azepan-1-yl)-N'-hydroxypentanimidamide (PubChem CID 43367759) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N'-hydroxypentanimidamide
PubChem CID43367759
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(azepan-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCCCC1
InChIInChI=1S/C11H23N3O/c1-2-10(9-11(12)13-15)14-7-5-3-4-6-8-14/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyFWAWYLQYRYBSDL-UHFFFAOYSA-N
XLogP1.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(azepan-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(azepan-1-yl)-N'-hydroxypentanimidamide (CID 43367759) is 3-(azepan-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(azepan-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(azepan-1-yl)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is FWAWYLQYRYBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-10(9-11(12)13-15)14-7-5-3-4-6-8-14/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of 3-(azepan-1-yl)-N'-hydroxypentanimidamide?
3-(azepan-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43367759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).