2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride

C13H25ClN2O — CID 91659456

IUPAC2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCCCCC2)CCC1
InChIInChI=1S/C13H24N2O.ClH/c14-13(7-6-8-13)11-12(16)15-9-4-2-1-3-5-10-15;/h1-11,14H2;1H
InChIKeyXURSPVQUYKPYRT-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.47
Rot. Bonds2

About 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride

2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride (PubChem CID 91659456) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
PubChem CID91659456
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCCCCC2)CCC1
InChIInChI=1S/C13H24N2O.ClH/c14-13(7-6-8-13)11-12(16)15-9-4-2-1-3-5-10-15;/h1-11,14H2;1H
InChIKeyXURSPVQUYKPYRT-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
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2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
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CID 75494695
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
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CID 79308679
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CID 107217667

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride (CID 91659456) is 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride is Cl.NC1(CC(=O)N2CCCCCCC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride?
The InChIKey is XURSPVQUYKPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-13(7-6-8-13)11-12(16)15-9-4-2-1-3-5-10-15;/h1-11,14H2;1H.
What are the key properties of 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride?
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 91659456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).