1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

C15H28N2O — CID 155455482

IUPAC1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCCCCCCN1CC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C15H28N2O/c1-3-4-5-6-9-16-12-15(13-16)7-10-17(11-8-15)14(2)18/h3-13H2,1-2H3
InChIKeyZIYXDXDLJOQKGV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 155455482) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID155455482
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCCCCCCN1CC2(CCN(C(C)=O)CC2)C1
InChIInChI=1S/C15H28N2O/c1-3-4-5-6-9-16-12-15(13-16)7-10-17(11-8-15)14(2)18/h3-13H2,1-2H3
InChIKeyZIYXDXDLJOQKGV-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 97392980
1-{2,7-Diazaspiro[3.5]nonan-2-yl}ethan-1-one hydrochloride
CID 134819083
1-[7-(2,2-Dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 95042685
1-[3-(7-Azaspiro[3.5]nonane-7-carbonyl)azetidin-1-yl]ethanone
CID 132357606
1-(4,4-Dimethylpiperidin-1-yl)-2-fluoroethanone
CID 58959885
1-{2,7-Diazaspiro[3.5]nonan-2-yl}ethan-1-one
CID 84108504
2,2-Dimethyl-1-[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 126750306
1-[7-(2,2,2-Trifluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 126758507
1-(2-Fluoro-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 126758720
1-[4-(Fluoromethyl)-4-methylpiperidin-1-yl]ethanone
CID 144383819
1-(5,5-Difluoro-2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 166713396
Ethane;1-(7-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
CID 176558724

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 155455482) is 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is CCCCCCN1CC2(CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is ZIYXDXDLJOQKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-4-5-6-9-16-12-15(13-16)7-10-17(11-8-15)14(2)18/h3-13H2,1-2H3.
What are the key properties of 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 155455482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).