1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

C17H33NO2 — CID 106654785

IUPAC1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1=CCCCCCC1
InChIInChI=1S/C17H33NO2/c1-3-12-18-17(11-13-20-15-14-19-2)16-9-7-5-4-6-8-10-16/h9,17-18H,3-8,10-15H2,1-2H3
InChIKeyGOJVXYKDWSONMA-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.69
Rot. Bonds10

About 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (PubChem CID 106654785) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
PubChem CID106654785
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)C1=CCCCCCC1
InChIInChI=1S/C17H33NO2/c1-3-12-18-17(11-13-20-15-14-19-2)16-9-7-5-4-6-8-10-16/h9,17-18H,3-8,10-15H2,1-2H3
InChIKeyGOJVXYKDWSONMA-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 106654780
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
[1-(cyclohepten-1-yl)-4-methoxybutyl]hydrazine
CID 106648972
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (CID 106654785) is 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is CCCNC(CCOCCOC)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is GOJVXYKDWSONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-12-18-17(11-13-20-15-14-19-2)16-9-7-5-4-6-8-10-16/h9,17-18H,3-8,10-15H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 106654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).