4-(azocan-1-yl)-N'-hydroxybutanimidamide

C11H23N3O — CID 43211911

IUPAC4-(azocan-1-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCN1CCCCCCC1)=N\O
InChIInChI=1S/C11H23N3O/c12-11(13-15)7-6-10-14-8-4-2-1-3-5-9-14/h15H,1-10H2,(H2,12,13)
InChIKeyILTCXFSRHIFOTG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.78
Rot. Bonds4

About 4-(azocan-1-yl)-N'-hydroxybutanimidamide

4-(azocan-1-yl)-N'-hydroxybutanimidamide (PubChem CID 43211911) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(azocan-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(azocan-1-yl)-N'-hydroxybutanimidamide
PubChem CID43211911
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(azocan-1-yl)-N'-hydroxybutanimidamide
SMILESN/C(CCCN1CCCCCCC1)=N\O
InChIInChI=1S/C11H23N3O/c12-11(13-15)7-6-10-14-8-4-2-1-3-5-9-14/h15H,1-10H2,(H2,12,13)
InChIKeyILTCXFSRHIFOTG-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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Related Compounds

N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
CID 61216300
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(azocan-1-yl)-N'-hydroxybutanimidamide (CID 43211911) is 4-(azocan-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(azocan-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(azocan-1-yl)-N'-hydroxybutanimidamide is N/C(CCCN1CCCCCCC1)=N\O.
What is the InChIKey of 4-(azocan-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is ILTCXFSRHIFOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-11(13-15)7-6-10-14-8-4-2-1-3-5-9-14/h15H,1-10H2,(H2,12,13).
What are the key properties of 4-(azocan-1-yl)-N'-hydroxybutanimidamide?
4-(azocan-1-yl)-N'-hydroxybutanimidamide 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 4-(azocan-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 43211911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).