4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide

C15H23N3O2 — CID 61301567

IUPAC4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-15(17-19)13-5-7-14(8-6-13)20-12-11-18-9-3-1-2-4-10-18/h5-8,19H,1-4,9-12H2,(H2,16,17)
InChIKeyWZAXATHHYSDAHP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds5

About 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 61301567) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID61301567
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCN2CCCCCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-15(17-19)13-5-7-14(8-6-13)20-12-11-18-9-3-1-2-4-10-18/h5-8,19H,1-4,9-12H2,(H2,16,17)
InChIKeyWZAXATHHYSDAHP-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
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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Related Compounds

4-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 106669736
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107912480
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide (CID 61301567) is 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(OCCN2CCCCCC2)cc1.
What is the InChIKey of 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WZAXATHHYSDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(17-19)13-5-7-14(8-6-13)20-12-11-18-9-3-1-2-4-10-18/h5-8,19H,1-4,9-12H2,(H2,16,17).
What are the key properties of 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61301567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).