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

C15H29NO2 — CID 106654780

IUPAC1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1=CCCCCCC1
InChIInChI=1S/C15H29NO2/c1-16-15(10-11-18-13-12-17-2)14-8-6-4-3-5-7-9-14/h8,15-16H,3-7,9-13H2,1-2H3
InChIKeySLBBLFUPPOSEJO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.91
Rot. Bonds8

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

1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine (PubChem CID 106654780) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
PubChem CID106654780
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1=CCCCCCC1
InChIInChI=1S/C15H29NO2/c1-16-15(10-11-18-13-12-17-2)14-8-6-4-3-5-7-9-14/h8,15-16H,3-7,9-13H2,1-2H3
InChIKeySLBBLFUPPOSEJO-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.91
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-propylpropan-1-amine
CID 106654785
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
[1-(cycloocten-1-yl)-3-ethoxypropyl]hydrazine
CID 106650004
[1-(cyclohepten-1-yl)-4-methoxybutyl]hydrazine
CID 106648972
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-[(1E)-cycloocten-1-yl]-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106656225
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine (CID 106654780) is 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine is CNC(CCOCCOC)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The InChIKey is SLBBLFUPPOSEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-16-15(10-11-18-13-12-17-2)14-8-6-4-3-5-7-9-14/h8,15-16H,3-7,9-13H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
1-(cycloocten-1-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.91, 8 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-methylpropan-1-amine is sourced from PubChem (CID 106654780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).