ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane

C18H39NO — CID 171838330

IUPACethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane
SMILESCC.CC.CCN1CCC2(CC1)CC(CCCOC)C2
InChIInChI=1S/C14H27NO.2C2H6/c1-3-15-8-6-14(7-9-15)11-13(12-14)5-4-10-16-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3
InChIKeyLIKAAJJXCHEYQO-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.98
Rot. Bonds5

About ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane

ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane (PubChem CID 171838330) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane
PubChem CID171838330
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Nameethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane
SMILESCC.CC.CCN1CCC2(CC1)CC(CCCOC)C2
InChIInChI=1S/C14H27NO.2C2H6/c1-3-15-8-6-14(7-9-15)11-13(12-14)5-4-10-16-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3
InChIKeyLIKAAJJXCHEYQO-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.98
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-(1-Fluoroethoxy)-6,7-di(propan-2-yl)-6-azaspiro[3.5]nonane
CID 175612383
Piperidine, 1-[2-[(3,7-dimethyloctyl)oxy]ethyl]-
CID 338100
4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine
CID 23498121
9-(Methoxymethyl)-3-methyl-3-azaspiro[5.5]undecane
CID 58101670
4-(5-Methoxypentan-2-yl)-1-pentadecylpiperidine
CID 58623460
(3S)-1-methyl-3-[2-methyl-2-[(5S)-5-methyloxan-3-yl]propyl]piperidine
CID 68307843
1-(2,2,6,6-Tetramethyloctoxy)piperidine
CID 69807896
1-[2-[(1R,2S,3R)-3-(butoxymethyl)-2-methylcyclobutyl]ethyl]piperidine
CID 70306773
1-[[(1R,3R)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
CID 70899888
1-[[(1S,3S)-3-(2-butoxyethyl)-2,2-dimethylcyclobutyl]methyl]-4-methylpiperazine
CID 70899895
1-[2-[(1R,3R)-3-(butoxymethyl)-2,2-dimethylcyclobutyl]ethyl]piperidine
CID 70899900
1-ethyl-4-[(6S)-6-ethyl-8-methoxyoctyl]piperazine
CID 90430005

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane (CID 171838330) is ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane is CC.CC.CCN1CCC2(CC1)CC(CCCOC)C2.
What is the InChIKey of ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane?
The InChIKey is LIKAAJJXCHEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO.2C2H6/c1-3-15-8-6-14(7-9-15)11-13(12-14)5-4-10-16-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane?
ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane has a molecular weight of 285.52 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 171838330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).