3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine

C17H33NO3 — CID 103176206

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(OCCOCCCOC)C12CCCCCC2
InChIInChI=1S/C17H33NO3/c1-18-15-14-16(17(15)8-5-3-4-6-9-17)21-13-12-20-11-7-10-19-2/h15-16,18H,3-14H2,1-2H3
InChIKeyLYLBFEOBJCATQC-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.76
Rot. Bonds9

About 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine

3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine (PubChem CID 103176206) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
PubChem CID103176206
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(OCCOCCCOC)C12CCCCCC2
InChIInChI=1S/C17H33NO3/c1-18-15-14-16(17(15)8-5-3-4-6-9-17)21-13-12-20-11-7-10-19-2/h15-16,18H,3-14H2,1-2H3
InChIKeyLYLBFEOBJCATQC-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
N-methyl-3-octoxyspiro[3.5]nonan-1-amine
CID 66356621
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764
2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
CID 113427576
3-(1-methoxypropan-2-yloxy)-N-methylspiro[3.4]octan-1-amine
CID 66350720
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
CID 106451100

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine (CID 103176206) is 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine is CNC1CC(OCCOCCCOC)C12CCCCCC2.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine?
The InChIKey is LYLBFEOBJCATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-18-15-14-16(17(15)8-5-3-4-6-9-17)21-13-12-20-11-7-10-19-2/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine?
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine has a molecular weight of 299.45 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine is sourced from PubChem (CID 103176206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).