2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C22H43NO6 — CID 163654965

IUPAC2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC1CC2CCCC(OCCOCCOCCOCCOCCOCCN)(C1)C2
InChIInChI=1S/C22H43NO6/c1-20-17-21-3-2-4-22(18-20,19-21)29-16-15-28-14-13-27-12-11-26-10-9-25-8-7-24-6-5-23/h20-21H,2-19,23H2,1H3
InChIKeyIPKRVSZOQBIPFL-UHFFFAOYSA-N
MW417.59 g/mol
LogP2.40
Rot. Bonds18

About 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 163654965) has the molecular formula C22H43NO6 and a molecular weight of 417.59 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID163654965
Molecular FormulaC22H43NO6
Molecular Weight417.59 g/mol
Exact Mass417.31
IUPAC Name2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC1CC2CCCC(OCCOCCOCCOCCOCCOCCN)(C1)C2
InChIInChI=1S/C22H43NO6/c1-20-17-21-3-2-4-22(18-20,19-21)29-16-15-28-14-13-27-12-11-26-10-9-25-8-7-24-6-5-23/h20-21H,2-19,23H2,1H3
InChIKeyIPKRVSZOQBIPFL-UHFFFAOYSA-N
XLogP2.40
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine with MolForge

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Related Compounds

2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 163608342
tert-butyl N-methyl-N-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]carbamate
CID 166800863
1-(methoxymethyl)-3-methylbicyclo[3.3.1]nonane
CID 139399772
3-methylbicyclo[3.3.1]nonane-1-carbaldehyde
CID 123691668
(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
CID 138987517
N-[2-[2-[2-[(3,5-dimethyl-1-bicyclo[5.1.1]nonanyl)oxy]ethoxy]ethoxy]ethyl]-4-hydroxybutanamide
CID 166943535
2-[2-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]amino]ethoxy]ethyl hypochlorite
CID 129058819
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
CID 79478924
2-[[1-(2-hydroxyethoxy)-3-methyl-3-bicyclo[3.3.1]nonanyl]oxy]ethanol
CID 138550493

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 163654965) is 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CC1CC2CCCC(OCCOCCOCCOCCOCCOCCN)(C1)C2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is IPKRVSZOQBIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO6/c1-20-17-21-3-2-4-22(18-20,19-21)29-16-15-28-14-13-27-12-11-26-10-9-25-8-7-24-6-5-23/h20-21H,2-19,23H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 417.59 g/mol, XLogP of 2.40, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[(3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 163654965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).